Hmdb loader

Showing metabocard for N-(1-Deoxy-1-fructosyl)tryptophan (HMDB0037847)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:06:22 UTC
Update Date2022-03-07 02:55:32 UTC
HMDB IDHMDB0037847
Secondary Accession Numbers
  • HMDB37847
Metabolite Identification
Common NameN-(1-Deoxy-1-fructosyl)tryptophan
DescriptionN-(1-Deoxy-1-fructosyl)tryptophan, also known as 1-(N-L-tryptophan)-1-deoxy-D-glucose or TRP-fru, belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)tryptophan.
Structure
Data?1563863097
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)


  Mrv0541 06301305292D          

 27 29  0  0  0  0            999 V2000
   -6.0922   -1.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7596   -1.5320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5047   -2.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6797   -2.3165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4248   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1948   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9896   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5443   -1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1574   -1.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301   -2.3143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3301   -3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -1.9018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414   -2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    0.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398   -1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  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
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  1  1  0  0  0
  5 19  1  0  0  0  0
 19 18  1  0  0  0  0
 21 11  2  0  0  0  0
 11 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
Download

3D MOL for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

HMDB0037847
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tryptophan
 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0463   -1.9785    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -1.3556    2.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7086    3.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.2720    1.3200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6245   -0.6542    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252    0.4209   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -0.0356   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -0.5423   -2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -0.8242   -2.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.5031   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7435   -0.6069   -1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2123   -0.2054   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3377    0.2966    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9941    0.3919    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4988   -0.0070   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6579    0.0271    0.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    0.5350    0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    0.8327   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.7745   -0.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -0.2507   -0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    0.1263   -1.2279 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7653   -0.8252   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130   -2.0969   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226    1.4798   -0.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5122    2.4458   -1.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    1.4185    0.6451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6860    0.4662    1.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325   -2.6517    3.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    0.6365    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546   -1.5969   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -0.7789    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    1.3373    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.5938   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.6922   -3.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0411   -1.2228   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389   -0.9915   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2689   -0.2587    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6993    0.6134    1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    0.7852    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.8087   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -0.0483    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    1.5464    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263    2.1164   -0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    0.2241   -2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835   -0.4472   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   -0.8883    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541   -2.7835   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.5767   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.3731   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    2.3934    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -0.3767    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15  7  1  0
 26 18  1  0
 15 10  1  0
  3 28  1  0
  4 29  1  1
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  6
 22 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  1
 25 49  1  0
 26 50  1  1
 27 51  1  0
M  END
Download

3D SDF for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)


  Mrv0541 06301305292D          

 27 29  0  0  0  0            999 V2000
   -6.0922   -1.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7596   -1.5320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5047   -2.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6797   -2.3165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4248   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1948   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9896   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5443   -1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1574   -1.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301   -2.3143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3301   -3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -1.9018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414   -2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    0.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398   -1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  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
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  1  1  0  0  0
  5 19  1  0  0  0  0
 19 18  1  0  0  0  0
 21 11  2  0  0  0  0
 11 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037847

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H24N2O7/c21-8-14-15(22)16(23)18(26,27-14)9-20-13(17(24)25)6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7,13-16,19-23,26H,5-6,8-9H2,(H,24,25)/t13-,14+,15+,16-,18?/m0/s1

> <INCHI_KEY>
WACCHYXNEMWDFW-AXJGUVMDSA-N

> <FORMULA>
C18H24N2O7

> <MOLECULAR_WEIGHT>
380.3924

> <EXACT_MASS>
380.158351132

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
38.353333742967415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

> <ALOGPS_LOGP>
-0.29

> <JCHEM_LOGP>
-2.655066683234478

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.763971270746104

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7404850809598784

> <JCHEM_PKA_STRONGEST_BASIC>
8.69992901727819

> <JCHEM_POLAR_SURFACE_AREA>
155.27

> <JCHEM_REFRACTIVITY>
93.67790000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

HMDB0037847
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tryptophan
 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0463   -1.9785    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -1.3556    2.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7086    3.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.2720    1.3200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6245   -0.6542    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252    0.4209   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -0.0356   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -0.5423   -2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -0.8242   -2.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.5031   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7435   -0.6069   -1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2123   -0.2054   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3377    0.2966    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9941    0.3919    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4988   -0.0070   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6579    0.0271    0.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    0.5350    0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    0.8327   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.7745   -0.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -0.2507   -0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    0.1263   -1.2279 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7653   -0.8252   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130   -2.0969   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226    1.4798   -0.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5122    2.4458   -1.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    1.4185    0.6451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6860    0.4662    1.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325   -2.6517    3.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    0.6365    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546   -1.5969   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -0.7789    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    1.3373    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.5938   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.6922   -3.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0411   -1.2228   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389   -0.9915   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2689   -0.2587    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6993    0.6134    1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    0.7852    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.8087   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -0.0483    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    1.5464    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263    2.1164   -0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    0.2241   -2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835   -0.4472   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   -0.8883    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541   -2.7835   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.5767   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.3731   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    2.3934    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -0.3767    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15  7  1  0
 26 18  1  0
 15 10  1  0
  3 28  1  0
  4 29  1  1
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  6
 22 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  1
 25 49  1  0
 26 50  1  1
 27 51  1  0
M  END
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PDB for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

HEADER    PROTEIN                                 30-JUN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUN-13         0                                  
HETATM    1  O   UNK     0     -11.372  -1.954   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -12.618  -2.860   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.142  -4.324   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.602  -4.324   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.126  -2.860   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -8.662  -2.384   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -9.697  -5.570   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -13.047  -5.570   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -14.083  -2.384   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -15.227  -3.414   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.636  -1.105   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.882  -2.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.882  -3.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.216  -4.320   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.216  -5.860   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -7.550  -6.630   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -4.882  -6.630   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      -7.550  -3.550   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -9.037  -3.949   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -2.866   1.265   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -4.112   0.360   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.210   0.781   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.621   0.360   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.096  -1.105   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.008  -2.194   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.480  -1.795   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.879  -0.308   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6   19                                             
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    2   10                                                       
CONECT   10    9                                                            
CONECT   11   12   21   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14   19                                                       
CONECT   19    5   18                                                       
CONECT   20   21   23                                                       
CONECT   21   11   20                                                       
CONECT   22   23   27                                                       
CONECT   23   20   22   24                                                  
CONECT   24   11   25   23                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END
Download

3D PDB for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

COMPND    HMDB0037847
HETATM    1  O1  UNL     1       1.046  -1.978   2.164  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.036  -1.356   2.248  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.928  -1.709   3.249  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.372  -0.272   1.320  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.625  -0.654   0.542  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.025   0.421  -0.442  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.244  -0.036  -1.142  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.383  -0.542  -2.397  1.00  0.00           C  
HETATM    9  N1  UNL     1      -4.683  -0.824  -2.606  1.00  0.00           N  
HETATM   10  C7  UNL     1      -5.375  -0.503  -1.499  1.00  0.00           C  
HETATM   11  C8  UNL     1      -6.743  -0.607  -1.224  1.00  0.00           C  
HETATM   12  C9  UNL     1      -7.212  -0.205  -0.003  1.00  0.00           C  
HETATM   13  C10 UNL     1      -6.338   0.297   0.944  1.00  0.00           C  
HETATM   14  C11 UNL     1      -4.994   0.392   0.657  1.00  0.00           C  
HETATM   15  C12 UNL     1      -4.499  -0.007  -0.567  1.00  0.00           C  
HETATM   16  N2  UNL     1       0.658   0.027   0.373  1.00  0.00           N  
HETATM   17  C13 UNL     1       1.840   0.535   0.981  1.00  0.00           C  
HETATM   18  C14 UNL     1       2.894   0.833  -0.036  1.00  0.00           C  
HETATM   19  O3  UNL     1       2.406   1.775  -0.932  1.00  0.00           O  
HETATM   20  O4  UNL     1       3.434  -0.251  -0.681  1.00  0.00           O  
HETATM   21  C15 UNL     1       4.639   0.126  -1.228  1.00  0.00           C  
HETATM   22  C16 UNL     1       5.765  -0.825  -0.915  1.00  0.00           C  
HETATM   23  O5  UNL     1       5.513  -2.097  -1.389  1.00  0.00           O  
HETATM   24  C17 UNL     1       5.023   1.480  -0.616  1.00  0.00           C  
HETATM   25  O6  UNL     1       4.512   2.446  -1.464  1.00  0.00           O  
HETATM   26  C18 UNL     1       4.146   1.419   0.645  1.00  0.00           C  
HETATM   27  O7  UNL     1       4.686   0.466   1.486  1.00  0.00           O  
HETATM   28  H1  UNL     1      -1.033  -2.652   3.570  1.00  0.00           H  
HETATM   29  H2  UNL     1      -0.609   0.636   1.953  1.00  0.00           H  
HETATM   30  H3  UNL     1      -1.455  -1.597  -0.003  1.00  0.00           H  
HETATM   31  H4  UNL     1      -2.446  -0.779   1.279  1.00  0.00           H  
HETATM   32  H5  UNL     1      -2.270   1.337   0.150  1.00  0.00           H  
HETATM   33  H6  UNL     1      -1.177   0.594  -1.136  1.00  0.00           H  
HETATM   34  H7  UNL     1      -2.576  -0.692  -3.113  1.00  0.00           H  
HETATM   35  H8  UNL     1      -5.041  -1.223  -3.492  1.00  0.00           H  
HETATM   36  H9  UNL     1      -7.439  -0.991  -1.939  1.00  0.00           H  
HETATM   37  H10 UNL     1      -8.269  -0.259   0.272  1.00  0.00           H  
HETATM   38  H11 UNL     1      -6.699   0.613   1.899  1.00  0.00           H  
HETATM   39  H12 UNL     1      -4.268   0.785   1.377  1.00  0.00           H  
HETATM   40  H13 UNL     1       0.837  -0.809  -0.203  1.00  0.00           H  
HETATM   41  H14 UNL     1       2.190  -0.048   1.833  1.00  0.00           H  
HETATM   42  H15 UNL     1       1.574   1.546   1.427  1.00  0.00           H  
HETATM   43  H16 UNL     1       1.526   2.116  -0.642  1.00  0.00           H  
HETATM   44  H17 UNL     1       4.603   0.224  -2.336  1.00  0.00           H  
HETATM   45  H18 UNL     1       6.683  -0.447  -1.451  1.00  0.00           H  
HETATM   46  H19 UNL     1       6.042  -0.888   0.137  1.00  0.00           H  
HETATM   47  H20 UNL     1       5.854  -2.784  -0.739  1.00  0.00           H  
HETATM   48  H21 UNL     1       6.078   1.577  -0.391  1.00  0.00           H  
HETATM   49  H22 UNL     1       4.636   3.373  -1.135  1.00  0.00           H  
HETATM   50  H23 UNL     1       3.974   2.393   1.087  1.00  0.00           H  
HETATM   51  H24 UNL     1       4.175  -0.377   1.538  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   28
CONECT    4    5   16   29
CONECT    5    6   30   31
CONECT    6    7   32   33
CONECT    7    8    8   15
CONECT    8    9   34
CONECT    9   10   35
CONECT   10   11   11   15
CONECT   11   12   36
CONECT   12   13   13   37
CONECT   13   14   38
CONECT   14   15   15   39
CONECT   16   17   40
CONECT   17   18   41   42
CONECT   18   19   20   26
CONECT   19   43
CONECT   20   21
CONECT   21   22   24   44
CONECT   22   23   45   46
CONECT   23   47
CONECT   24   25   26   48
CONECT   25   49
CONECT   26   27   50
CONECT   27   51
END
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SMILES for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

InChI=1S/C18H24N2O7/c21-8-14-15(22)16(23)18(26,27-14)9-20-13(17(24)25)6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7,13-16,19-23,26H,5-6,8-9H2,(H,24,25)/t13-,14+,15+,16-,18?/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-(N-L-Tryptophan)-1-deoxy-D-glucoseHMDB
1-(N-Tryptophan)-1-deoxyfructoseHMDB
1-[[1-Carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-deoxyfructose, 9ciHMDB
TRP-FruHMDB
(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoateHMDB
Chemical FormulaC18H24N2O7
Average Molecular Weight380.3924
Monoisotopic Molecular Weight380.158351132
IUPAC Name(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid
Traditional Name(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid
CAS Registry Number25020-15-9
SMILES
OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C18H24N2O7/c21-8-14-15(22)16(23)18(26,27-14)9-20-13(17(24)25)6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7,13-16,19-23,26H,5-6,8-9H2,(H,24,25)/t13-,14+,15+,16-,18?/m0/s1
InChI KeyWACCHYXNEMWDFW-AXJGUVMDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassTryptamines and derivatives
Direct ParentTryptamines and derivatives
Alternative Parents
Substituents
  • Triptan
  • C-glycosyl compound
  • Glycosyl compound
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Pentose monosaccharide
  • L-alpha-amino acid
  • 3-alkylindole
  • Indole
  • Aralkylamine
  • Monosaccharide
  • Substituted pyrrole
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Amino acid
  • Amino acid or derivatives
  • Secondary alcohol
  • Hemiacetal
  • Carboxylic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Oxacycle
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Polyol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Carbonyl group
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point143 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility5.29 g/LALOGPS
logP-0.29ALOGPS
logP-2.7ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)1.74ChemAxon
pKa (Strongest Basic)8.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area155.27 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity93.68 m³·mol⁻¹ChemAxon
Polarizability38.35 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+186.57231661259
DarkChem[M-H]-180.53331661259
DeepCCS[M+H]+180.30130932474
DeepCCS[M-H]-177.90630932474
DeepCCS[M-2H]-211.59730932474
DeepCCS[M+Na]+186.69330932474
AllCCS[M+H]+190.432859911
AllCCS[M+H-H2O]+187.732859911
AllCCS[M+NH4]+192.832859911
AllCCS[M+Na]+193.532859911
AllCCS[M-H]-187.632859911
AllCCS[M+Na-2H]-187.932859911
AllCCS[M+HCOO]-188.432859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.2.69 minutes32390414
Predicted by Siyang on May 30, 202211.0354 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20227.15 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid320.5 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1063.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid213.7 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid73.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid178.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid117.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid307.7 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid306.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)689.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid630.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid234.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1033.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid218.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid244.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate501.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA333.3 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water373.8 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-(1-Deoxy-1-fructosyl)tryptophanOC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O4093.6Standard polar33892256
N-(1-Deoxy-1-fructosyl)tryptophanOC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O2667.8Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophanOC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O3611.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O3581.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #2C[Si](C)(C)OC1(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O3587.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O3484.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O3589.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@@H]1CO3584.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #6C[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O3576.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #7C[Si](C)(C)N1C=C(CC[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C2=CC=CC=C213532.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3494.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #10C[Si](C)(C)OC1(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O3542.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #11C[Si](C)(C)OC1(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O3498.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O3441.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C3442.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O3415.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C3478.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #16C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O3522.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #17C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3527.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #18C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3507.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #19C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@@H]1CO3520.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #2C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O3436.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #20C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@@H]1CO3498.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #21C[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3481.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #3C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O3510.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #4C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C3508.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #5C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O3523.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #6C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O3507.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O3426.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #8C[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)O[C@@H]1CO3514.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C3514.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3376.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #10C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3470.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #11C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3491.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #12C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O3478.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #13C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3478.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #14C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C3459.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #15C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O3471.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O3398.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C3392.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O3367.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C3465.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #2C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3441.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #20C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C3454.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #21C[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO3500.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #22C[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)O[C@@H]1CO3465.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #23C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C3506.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #24C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C3474.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #25C[Si](C)(C)OC1(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O3486.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #26C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3421.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #27C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O3391.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #28C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C3457.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #29C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C3398.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #3C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3438.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #30C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3460.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #31C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C3419.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #32C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3489.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #33C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3483.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #34C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3482.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #35C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@@H]1CO3465.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #4C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3501.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #5C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3455.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #6C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3411.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #7C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3407.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #8C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O3450.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #9C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O3390.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3362.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #10C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3476.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #11C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3394.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #12C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3450.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #13C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3390.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #14C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3438.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #15C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3378.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #16C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O3418.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #17C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3463.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #18C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3459.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #19C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3470.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #2C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3369.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #20C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3450.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3368.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #22C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O3362.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #23C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C3459.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #24C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C3359.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #25C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3460.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #26C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C3432.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #27C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C3485.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #28C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C3439.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #29C[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO3459.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #3C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3458.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #30C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C3484.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #31C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3389.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #32C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3444.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #33C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C3416.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #34C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3428.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #35C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3459.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #4C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3356.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #5C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3427.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #6C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3490.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #7C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3435.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #8C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3471.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #9C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3427.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3369.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #10C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3454.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #11C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3438.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #12C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3381.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #13C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3436.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #14C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3417.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #15C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3443.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3351.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3476.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #18C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C3436.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #19C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3449.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #2C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3474.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #20C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C3473.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #21C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3423.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #3C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3353.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #4C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3459.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #5C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3355.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #6C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O3447.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #7C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3501.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #8C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3421.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #9C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3484.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3505.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3296.6Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #2C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3358.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #2C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3199.8Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #3C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3465.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #3C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3256.9Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #4C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3445.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #4C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3226.8Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #5C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3497.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #5C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3230.0Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #6C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3434.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #6C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3222.5Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3471.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C3234.3Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,7TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3505.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,7TMS,isomer #1C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3236.9Standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O3853.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O3860.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O3756.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O3864.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@@H]1CO3857.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O3828.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C=C(CC[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C2=CC=CC=C213802.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4027.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4053.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O3977.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3948.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3947.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O3896.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3972.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O4031.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4034.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3981.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@@H]1CO4038.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O3956.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@@H]1CO3976.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3963.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4027.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4019.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4032.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O3991.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O3947.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO4026.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C4021.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4107.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4190.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4211.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4129.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4194.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4115.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4154.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4098.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4082.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4011.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C4163.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4175.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C4165.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO4216.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO4104.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4226.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C4108.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4169.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4106.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4025.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C4147.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4030.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4178.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4159.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C4084.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4206.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4109.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4152.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@@H]1CO4145.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4225.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4126.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4113.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4113.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4145.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4030.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4227.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4317.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4251.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4306.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4168.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4295.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4160.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4231.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4349.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4251.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4309.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4233.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4283.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4205.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4135.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C4305.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4122.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4312.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C4242.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4363.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C4206.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO4296.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4319.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4314.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4153.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4295.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C4227.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4243.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4284.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4142.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4317.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4373.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4230.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4360.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4224.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan GC-MS (Non-derivatized) - 70eV, Positivesplash10-08mr-9424000000-e29de8c981f8ada838562017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan GC-MS (4 TMS) - 70eV, Positivesplash10-0udi-3912135000-b987097c5a5b84be6df32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Positive-QTOFsplash10-01q9-1249000000-9b991baac2539b5f87e42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Positive-QTOFsplash10-01qi-2739000000-29eee29d8ea6e4664cb12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Positive-QTOFsplash10-001r-6920000000-b73bed2964ac3e88b4f12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Negative-QTOFsplash10-004i-3139000000-5177237b4ee1dfedee7c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Negative-QTOFsplash10-02di-2239000000-79497ab4849e0454477d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Negative-QTOFsplash10-0006-9100000000-f38a1f29b5777ccea0462017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Positive-QTOFsplash10-01q9-0129000000-6bf6e27c0971d571aaa42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Positive-QTOFsplash10-03ea-0459000000-93a6945769ca7542d5912021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Positive-QTOFsplash10-0006-1910000000-02480cb45f473daaa7652021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Negative-QTOFsplash10-004i-0019000000-aa1503de2ce57043cfa12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Negative-QTOFsplash10-0690-1459000000-fc22372ef8acd36206992021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Negative-QTOFsplash10-066r-4392000000-9013d0278a4f5eb567e92021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016998
KNApSAcK IDNot Available
Chemspider ID35014484
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752249
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .