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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:19:56 UTC

Update Date

2021-09-26 22:56:57 UTC

HMDB ID

HMDB0247326

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Description

(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, also known as furosemide glucuronide, belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Based on a literature review very few articles have been published on (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (3r,4s,5s,6s)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1533004191519582D          

 33 35  0  0  0  0            999 V2000
    3.4656    5.1777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2906    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    0.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1814    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.0527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476   -0.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END

HMDB0252546
     RDKit          3D
Furosemide glucuronide
 52 54  0  0  0  0  0  0  0  0999 V2000
   -3.0706    5.4387    1.2514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4371    4.1125    2.1474 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2279    3.9860    3.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    4.4045    2.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    2.6127    1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.8990    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.6946    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.0558    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491   -1.0111   -0.6007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0513    0.6154    0.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.0239    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136    0.8933   -0.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.8626    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3595    1.5952   -0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    2.1602   -1.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6889    1.6639   -0.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233   -0.6026    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2091   -0.7420    0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849   -1.1782    1.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946   -0.9495    2.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863   -0.4299    1.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -1.3479    2.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    0.2263   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -0.9899   -0.8585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998   -1.4588   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0239   -2.7321   -1.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694   -4.0348   -1.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9631   -4.9035   -2.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563   -4.1128   -3.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8973   -2.8572   -3.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8114    0.9425    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710    2.1204    0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2058    3.0409    1.2485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    5.9480    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5343    6.1387    1.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    2.2891    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -0.9313   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606    1.2912    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3765    1.5930   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714   -1.1347   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100   -1.3147   -0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190   -2.2594    1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923   -1.7707    2.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716    0.3900    2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.1312    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963   -1.6074   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7446   -1.6108   -0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5466   -0.6954   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1705   -4.2765   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668   -5.9755   -2.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7560   -4.4886   -4.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7695    0.5481   -0.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  7 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 23 31  1  0
 31 32  2  0
 32 33  1  0
 32  5  1  0
 21 11  1  0
 30 26  1  0
  1 34  1  0
  1 35  1  0
  6 36  1  0
 11 37  1  0
 13 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 31 52  1  0
M  END


  Mrv1533004191519582D          

 33 35  0  0  0  0            999 V2000
    3.4656    5.1777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2906    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    0.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1814    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.0527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476   -0.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247326

> <DATABASE_NAME>
hmdb

> <SMILES>
NS(=O)(=O)C1=CC(C(=O)OC2OC(C(O)C(O)C2O)C(O)=O)=C(NCC2=CC=CO2)C=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)

> <INCHI_KEY>
RNVHHPUYELVHRE-UHFFFAOYSA-N

> <FORMULA>
C18H19ClN2O11S

> <MOLECULAR_WEIGHT>
506.86

> <EXACT_MASS>
506.0398083

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
45.95353235344511

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.63

> <JCHEM_LOGP>
0.0006085033333336765

> <ALOGPS_LOGS>
-2.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.510538261371842

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5609321908215077

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5872478599624218

> <JCHEM_POLAR_SURFACE_AREA>
218.84999999999997

> <JCHEM_REFRACTIVITY>
109.7728

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252546
     RDKit          3D
Furosemide glucuronide
 52 54  0  0  0  0  0  0  0  0999 V2000
   -3.0706    5.4387    1.2514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4371    4.1125    2.1474 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2279    3.9860    3.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    4.4045    2.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    2.6127    1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.8990    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.6946    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.0558    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491   -1.0111   -0.6007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0513    0.6154    0.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.0239    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136    0.8933   -0.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.8626    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3595    1.5952   -0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    2.1602   -1.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6889    1.6639   -0.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233   -0.6026    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2091   -0.7420    0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849   -1.1782    1.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946   -0.9495    2.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863   -0.4299    1.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -1.3479    2.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    0.2263   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -0.9899   -0.8585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998   -1.4588   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0239   -2.7321   -1.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694   -4.0348   -1.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9631   -4.9035   -2.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563   -4.1128   -3.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8973   -2.8572   -3.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8114    0.9425    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710    2.1204    0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2058    3.0409    1.2485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    5.9480    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5343    6.1387    1.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    2.2891    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -0.9313   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606    1.2912    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3765    1.5930   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714   -1.1347   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100   -1.3147   -0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190   -2.2594    1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923   -1.7707    2.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716    0.3900    2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.1312    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963   -1.6074   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7446   -1.6108   -0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5466   -0.6954   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1705   -4.2765   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668   -5.9755   -2.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7560   -4.4886   -4.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7695    0.5481   -0.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  7 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 23 31  1  0
 31 32  2  0
 32 33  1  0
 32  5  1  0
 21 11  1  0
 30 26  1  0
  1 34  1  0
  1 35  1  0
  6 36  1  0
 11 37  1  0
 13 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 31 52  1  0
M  END

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  N   UNK     0       6.469   9.665   0.000  0.00  0.00           N+0
HETATM    2  S   UNK     0       6.469   8.125   0.000  0.00  0.00           S+0
HETATM    3  O   UNK     0       4.929   8.125   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       8.009   8.125   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.469   6.585   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.803   5.815   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.803   4.275   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.137   3.505   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.137   1.965   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      10.470   4.275   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.804   3.505   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.138   4.275   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      14.471   3.505   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.471   1.965   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      15.805   1.195   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      13.138   1.195   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.138  -0.345   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      11.804   1.965   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.470   1.195   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      15.805   4.275   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      17.139   3.505   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      15.805   5.815   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.469   3.505   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       6.469   1.965   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       7.803   1.195   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.803  -0.345   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.049  -1.250   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.573  -2.715   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.033  -2.715   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.557  -1.250   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.136   4.275   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.136   5.815   0.000  0.00  0.00           C+0
HETATM   33 Cl   UNK     0       3.802   6.585   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2    6   32                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   23                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   11   19                                                  
CONECT   19   18                                                            
CONECT   20   13   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    7   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   26                                                       
CONECT   31   23   32                                                       
CONECT   32   31    5   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

COMPND    HMDB0252544
HETATM    1  N1  UNL     1      -2.159   3.864   3.854  1.00  0.00           N  
HETATM    2  S1  UNL     1      -1.609   3.941   2.222  1.00  0.00           S  
HETATM    3  O1  UNL     1      -0.125   4.174   2.237  1.00  0.00           O  
HETATM    4  O2  UNL     1      -2.279   5.076   1.495  1.00  0.00           O  
HETATM    5  C1  UNL     1      -1.973   2.402   1.450  1.00  0.00           C  
HETATM    6  C2  UNL     1      -0.947   1.644   0.937  1.00  0.00           C  
HETATM    7  C3  UNL     1      -1.203   0.407   0.312  1.00  0.00           C  
HETATM    8  C4  UNL     1      -0.067  -0.342  -0.207  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.139  -1.442  -0.780  1.00  0.00           O  
HETATM   10  O4  UNL     1       1.228   0.168  -0.080  1.00  0.00           O  
HETATM   11  C5  UNL     1       2.362  -0.533  -0.575  1.00  0.00           C  
HETATM   12  O5  UNL     1       2.880   0.251  -1.597  1.00  0.00           O  
HETATM   13  C6  UNL     1       3.794   1.147  -1.105  1.00  0.00           C  
HETATM   14  C7  UNL     1       4.047   2.288  -2.013  1.00  0.00           C  
HETATM   15  O6  UNL     1       3.422   2.314  -3.097  1.00  0.00           O  
HETATM   16  O7  UNL     1       4.948   3.273  -1.647  1.00  0.00           O  
HETATM   17  C8  UNL     1       5.069   0.321  -0.890  1.00  0.00           C  
HETATM   18  O8  UNL     1       5.261  -0.395  -2.085  1.00  0.00           O  
HETATM   19  C9  UNL     1       4.762  -0.636   0.210  1.00  0.00           C  
HETATM   20  O9  UNL     1       5.452  -0.175   1.357  1.00  0.00           O  
HETATM   21  C10 UNL     1       3.338  -0.854   0.508  1.00  0.00           C  
HETATM   22  O10 UNL     1       2.980  -0.097   1.636  1.00  0.00           O  
HETATM   23  C11 UNL     1      -2.507   0.017   0.250  1.00  0.00           C  
HETATM   24  N2  UNL     1      -2.853  -1.214  -0.363  1.00  0.00           N  
HETATM   25  C12 UNL     1      -4.272  -1.564  -0.390  1.00  0.00           C  
HETATM   26  C13 UNL     1      -4.446  -2.883  -1.035  1.00  0.00           C  
HETATM   27  C14 UNL     1      -3.504  -3.862  -1.212  1.00  0.00           C  
HETATM   28  C15 UNL     1      -4.144  -4.907  -1.866  1.00  0.00           C  
HETATM   29  C16 UNL     1      -5.447  -4.512  -2.054  1.00  0.00           C  
HETATM   30  O11 UNL     1      -5.589  -3.323  -1.556  1.00  0.00           O  
HETATM   31  C17 UNL     1      -3.539   0.800   0.776  1.00  0.00           C  
HETATM   32  C18 UNL     1      -3.288   2.007   1.386  1.00  0.00           C  
HETATM   33 CL1  UNL     1      -4.539   3.026   2.060  1.00  0.00          CL  
HETATM   34  H1  UNL     1      -2.206   2.882   4.154  1.00  0.00           H  
HETATM   35  H2  UNL     1      -3.070   4.371   3.934  1.00  0.00           H  
HETATM   36  H3  UNL     1       0.089   1.960   0.990  1.00  0.00           H  
HETATM   37  H4  UNL     1       2.051  -1.491  -1.045  1.00  0.00           H  
HETATM   38  H5  UNL     1       3.451   1.467  -0.094  1.00  0.00           H  
HETATM   39  H6  UNL     1       5.777   3.039  -1.117  1.00  0.00           H  
HETATM   40  H7  UNL     1       5.914   0.970  -0.660  1.00  0.00           H  
HETATM   41  H8  UNL     1       4.472  -0.375  -2.667  1.00  0.00           H  
HETATM   42  H9  UNL     1       5.290  -1.601  -0.052  1.00  0.00           H  
HETATM   43  H10 UNL     1       6.404  -0.472   1.326  1.00  0.00           H  
HETATM   44  H11 UNL     1       3.211  -1.924   0.847  1.00  0.00           H  
HETATM   45  H12 UNL     1       2.317  -0.591   2.200  1.00  0.00           H  
HETATM   46  H13 UNL     1      -2.207  -1.878  -0.790  1.00  0.00           H  
HETATM   47  H14 UNL     1      -4.666  -1.642   0.643  1.00  0.00           H  
HETATM   48  H15 UNL     1      -4.859  -0.783  -0.938  1.00  0.00           H  
HETATM   49  H16 UNL     1      -2.453  -3.851  -0.907  1.00  0.00           H  
HETATM   50  H17 UNL     1      -3.661  -5.814  -2.140  1.00  0.00           H  
HETATM   51  H18 UNL     1      -6.187  -5.139  -2.547  1.00  0.00           H  
HETATM   52  H19 UNL     1      -4.581   0.489   0.726  1.00  0.00           H  
CONECT    1    2   34   35
CONECT    2    3    3    4    4
CONECT    2    5
CONECT    5    6    6   32
CONECT    6    7   36
CONECT    7    8   23   23
CONECT    8    9    9   10
CONECT   10   11
CONECT   11   12   21   37
CONECT   12   13
CONECT   13   14   17   38
CONECT   14   15   15   16
CONECT   16   39
CONECT   17   18   19   40
CONECT   18   41
CONECT   19   20   21   42
CONECT   20   43
CONECT   21   22   44
CONECT   22   45
CONECT   23   24   31
CONECT   24   25   46
CONECT   25   26   47   48
CONECT   26   27   27   30
CONECT   27   28   49
CONECT   28   29   29   50
CONECT   29   30   51
CONECT   31   32   32   52
CONECT   32   33
END

HMDB0252546
     RDKit          3D
Furosemide glucuronide
 52 54  0  0  0  0  0  0  0  0999 V2000
   -3.0706    5.4387    1.2514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4371    4.1125    2.1474 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2279    3.9860    3.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    4.4045    2.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    2.6127    1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.8990    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.6946    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.0558    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491   -1.0111   -0.6007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0513    0.6154    0.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.0239    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136    0.8933   -0.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.8626    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3595    1.5952   -0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    2.1602   -1.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6889    1.6639   -0.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233   -0.6026    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2091   -0.7420    0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849   -1.1782    1.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946   -0.9495    2.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863   -0.4299    1.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -1.3479    2.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    0.2263   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -0.9899   -0.8585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998   -1.4588   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0239   -2.7321   -1.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694   -4.0348   -1.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9631   -4.9035   -2.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563   -4.1128   -3.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8973   -2.8572   -3.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8114    0.9425    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710    2.1204    0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2058    3.0409    1.2485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    5.9480    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5343    6.1387    1.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    2.2891    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -0.9313   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606    1.2912    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3765    1.5930   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714   -1.1347   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100   -1.3147   -0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190   -2.2594    1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923   -1.7707    2.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716    0.3900    2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.1312    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963   -1.6074   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7446   -1.6108   -0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5466   -0.6954   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1705   -4.2765   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668   -5.9755   -2.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7560   -4.4886   -4.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7695    0.5481   -0.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  7 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 23 31  1  0
 31 32  2  0
 32 33  1  0
 32  5  1  0
 21 11  1  0
 30 26  1  0
  1 34  1  0
  1 35  1  0
  6 36  1  0
 11 37  1  0
 13 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 31 52  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate	Generator
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulphamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate	Generator
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulphamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	Generator
6-(4-Chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylate	HMDB
6-(4-Chloro-2-{[(furan-2-yl)methyl]amino}-5-sulphamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylate	HMDB
6-(4-Chloro-2-{[(furan-2-yl)methyl]amino}-5-sulphamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	HMDB
Furosemide glucuronide	HMDB
Furosemide acyl glucuronide	HMDB
Furosemide glucuronate	HMDB

Chemical Formula

C₁₈H₁₉ClN₂O₁₁S

Average Molecular Weight

506.86

Monoisotopic Molecular Weight

506.0398083

IUPAC Name

6-(4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

6-{4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

NS(=O)(=O)C1=CC(C(=O)OC2OC(C(O)C(O)C2O)C(O)=O)=C(NCC2=CC=CO2)C=C1Cl

InChI Identifier

InChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)

InChI Key

RNVHHPUYELVHRE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glucuronides

Alternative Parents

Substituents

1-o-glucuronide
O-glucuronide
Hexose monosaccharide
Aminobenzenesulfonamide
Aminobenzoic acid or derivatives
Benzenesulfonamide
Benzoate ester
4-halobenzoic acid or derivatives
Halobenzoic acid or derivatives
Benzenesulfonyl group
Benzoic acid or derivatives
Benzoyl
Phenylalkylamine
Aniline or substituted anilines
Beta-hydroxy acid
Chlorobenzene
Halobenzene
Aralkylamine
Secondary aliphatic/aromatic amine
Aryl chloride
Hydroxy acid
Monosaccharide
Dicarboxylic acid or derivatives
Organosulfonic acid amide
Benzenoid
Oxane
Monocyclic benzene moiety
Pyran
Aryl halide
Vinylogous amide
Furan
Sulfonyl
Aminosulfonyl compound
Heteroaromatic compound
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Amino acid
Secondary alcohol
Carboxylic acid ester
Amino acid or derivatives
Carboxylic acid
Acetal
Carboxylic acid derivative
Polyol
Organoheterocyclic compound
Secondary amine
Oxacycle
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Amine
Organopnictogen compound
Organohalogen compound
Organochloride
Organonitrogen compound
Organosulfur compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.63	ALOGPS
logP	0.00061	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	2.56	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	218.85 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	109.77 m³·mol⁻¹	ChemAxon
Polarizability	45.95 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	194.52	30932474
DeepCCS	[M-H]-	192.125	30932474
DeepCCS	[M-2H]-	225.352	30932474
DeepCCS	[M+Na]+	200.437	30932474
AllCCS	[M+H]+	205.6	32859911
AllCCS	[M+H-H2O]+	203.7	32859911
AllCCS	[M+NH4]+	207.3	32859911
AllCCS	[M+Na]+	207.8	32859911
AllCCS	[M-H]-	198.7	32859911
AllCCS	[M+Na-2H]-	199.3	32859911
AllCCS	[M+HCOO]-	200.1	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	12.0435 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.88 minutes	32390414

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4234.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	3869.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	7366.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4248.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	3848.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	7299.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4256.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	3888.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	7352.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	4225.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	3937.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	7458.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4303.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4025.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	6884.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	4177.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	3946.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	7521.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C	4184.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C	3922.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C	6676.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O	4193.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O	3923.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O	6662.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4250.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4075.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	6125.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	4096.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	3959.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	6716.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4182.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4119.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	6180.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O	4057.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O	3988.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O	6783.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4240.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4215.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	6414.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4095.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4128.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	6227.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4217.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	3898.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	6606.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C	4207.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C	3845.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C	6570.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4233.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4072.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	6134.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O	4085.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O	3946.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O	6728.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	4214.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	3871.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	6555.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O	4190.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O	3893.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O	6611.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4249.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4054.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	6098.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C1O	4095.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C1O	3923.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C1O	6666.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4181.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3919.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	6116.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4187.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4262.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	5804.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4021.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4168.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5658.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4160.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3876.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	6043.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4183.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4090.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5525.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	4049.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	3910.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	6105.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4128.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4126.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	5580.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4015.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3927.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	6145.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4196.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4244.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	5773.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4038.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4146.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5626.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4137.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4152.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5597.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4172.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3878.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	6055.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4016.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3960.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	6201.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4195.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4265.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	5800.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4031.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4175.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5654.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	4118.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	4310.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	5835.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3960.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4218.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5684.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	4016.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	4320.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	5880.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4127.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4147.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	5603.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4009.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3956.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	6212.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4199.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3859.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	6022.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4197.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4115.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5590.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4055.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	3941.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	6160.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4186.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4077.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	5533.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4050.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3888.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	6117.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4161.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3894.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5630.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4156.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4303.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5381.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4017.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4206.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5236.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C	4153.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C	4265.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C	5332.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4006.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4168.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5180.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O	3984.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O	4351.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O	5428.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4080.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4157.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5116.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4014.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3915.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5694.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	4139.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	4276.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	5326.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4000.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4179.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5174.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O	4107.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O	4315.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O	5365.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4114.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4188.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5173.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3941.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4213.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5214.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C1O	4014.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C1O	4328.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C1O	5402.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O	4103.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O	4340.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O	5380.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3954.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4238.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5230.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	3989.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	4358.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	5427.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O	3907.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O	4401.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O	5444.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4039.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3952.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5764.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4098.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4155.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	5123.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4025.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3913.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5705.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C	4097.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C	4335.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C	5384.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3949.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4232.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	5234.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4142.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4127.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5083.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4053.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3900.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5681.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4065.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4211.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4674.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4035.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4389.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5112.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #11	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4031.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #11	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4348.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #11	C[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5060.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4099.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4347.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5000.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3943.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4250.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #13	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4808.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	4013.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	4358.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	5054.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3969.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4397.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5087.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3952.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4419.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5104.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4024.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3929.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5355.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4130.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4379.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5053.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3985.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4281.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4870.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4123.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4345.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5006.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3964.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4245.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4815.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3948.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4412.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5107.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4131.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4316.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4973.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3996.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4219.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	4779.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4484.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4138.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	7134.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4508.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4116.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	7070.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4510.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4162.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	7121.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	4472.6	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	4204.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	7170.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4550.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4291.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	6638.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	4411.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	4192.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	7237.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4615.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4416.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6434.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4627.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4426.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6424.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4668.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4607.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5934.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O	4524.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O	4433.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O	6477.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4603.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4646.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	5951.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4488.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4463.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	6513.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4682.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4677.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	6135.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4528.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4631.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	6003.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	4652.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	4398.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	6395.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C(C)(C)C	4646.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C(C)(C)C	4338.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O[Si](C)(C)C(C)(C)C	6361.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4656.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4592.4	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	5940.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C1O	4516.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C1O	4406.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C1O	6486.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	4644.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	4376.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	6350.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4636.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4387.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6377.5	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4688.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4577.8	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	5908.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1O	4532.7	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1O	4388.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1O	6430.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4803.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4621.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5976.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4784.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	4959.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C1O	5687.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4629.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4889.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	5582.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4762.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4584.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5915.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4769.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4846.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5479.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	4652.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	4594.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	5966.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4744.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4877.0	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	5504.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4641.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4608.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5987.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4806.4	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	4943.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C1O	5658.8	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4655.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4870.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	5553.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4737.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4912.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5522.4	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4779.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4580.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5926.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4631.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4646.3	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6035.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4797.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	4979.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O)C1O	5685.9	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4636.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4913.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	5581.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	4739.9	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	5017.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C2NCC2=CC=CO2)C(O)C(O)C1O	5696.2	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4587.2	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	4949.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	5590.0	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	4691.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	5005.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O	5740.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4729.0	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	4899.2	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(NCC2=CC=CO2)C=C1Cl	5525.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4625.5	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4635.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6043.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4758.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4566.7	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCC2=CC=CO2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5910.3	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4781.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	4872.1	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	5531.6	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	4665.8	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	4621.6	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	6011.7	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4774.3	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	4820.5	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C(NCC2=CC=CO2)C=C1Cl	5485.1	Standard polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4660.1	Semi standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4562.9	Standard non polar	33892256
(3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5974.6	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 10V, Positive-QTOF	splash10-01q0-0105920000-f29dcc0d01e48b0b324e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 20V, Positive-QTOF	splash10-01q9-4209510000-fbd545b338dbc1432d3d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 40V, Positive-QTOF	splash10-001i-9201000000-de0d7fc8bd1d89e4a205	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 10V, Negative-QTOF	splash10-056r-0249080000-178c4ff3fc2732874ace	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 20V, Negative-QTOF	splash10-004i-9238720000-7d84d128e9f4a75cc87c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 40V, Negative-QTOF	splash10-004i-9122100000-6abb4fa5699653d855b3	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

22378832

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73744518

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (HMDB0247326)

MOL for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

3D MOL for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

3D SDF for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

3D-SDF for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

PDB for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

3D PDB for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

SMILES for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

INCHI for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

Structure for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

3D Structure for HMDB0247326 ((3R,4S,5S,6S)-6-[4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra