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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:30:38 UTC

Update Date

2022-03-07 02:52:10 UTC

HMDB ID

HMDB0029477

Secondary Accession Numbers

HMDB29477

Metabolite Identification

Common Name

Isomangiferin

Description

Isomangiferin belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Isomangiferin has been detected, but not quantified in, fruits and mangos (Mangifera indica). This could make isomangiferin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Isomangiferin.

Structure

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


  Mrv0541 02241219492D          

 30 33  0  0  0  0            999 V2000
    0.0007    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  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
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END

HMDB0029477
     RDKit          3D
Isomangiferin
 48 51  0  0  0  0  0  0  0  0999 V2000
    4.1177    2.2677   -0.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1813    1.4801   -0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071    0.3645    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525    0.0890    0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632   -1.0159    1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915   -1.3301    2.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8038   -1.8977    1.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227   -3.0200    2.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -1.6169    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.4987    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670   -0.2559    0.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9216    0.8152   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3766    0.9290   -1.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911    0.0048   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -0.7249    0.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4006   -0.4899    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043   -1.1274    2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4623   -0.9036    3.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.9410    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6923   -0.0637    0.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930   -1.0039   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5927   -0.1765   -1.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885   -0.6663   -1.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -1.9911   -1.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    2.0280   -2.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    2.2821   -2.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864    2.9678   -2.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484    2.8153   -1.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102    3.6714   -2.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332    1.7018   -0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374    0.7990    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188   -0.7681    2.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159   -3.1847    3.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485   -2.2982    1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    0.8431   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082    0.6432    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -2.2224    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -0.7337    3.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9113   -0.0584    2.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839   -1.9320    0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8252    0.5944    0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379   -2.0293   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -0.3514   -2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2871   -2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631   -2.4510   -1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469    1.7495   -2.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    3.8309   -2.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354    4.1631   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 13 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 10  3  1  0
 30 12  1  0
 23 14  1  0
  4 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 29 48  1  0
M  END


  Mrv0541 02241219492D          

 30 33  0  0  0  0            999 V2000
    0.0007    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  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
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029477

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2

> <INCHI_KEY>
CDYBOKJASDEORM-UHFFFAOYSA-N

> <FORMULA>
C19H18O11

> <MOLECULAR_WEIGHT>
422.3396

> <EXACT_MASS>
422.084911418

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
39.29710274126906

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one

> <ALOGPS_LOGP>
-0.13

> <JCHEM_LOGP>
-0.3619419713333333

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.706220166860153

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.021294252656439

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9791926292654223

> <JCHEM_POLAR_SURFACE_AREA>
197.36999999999998

> <JCHEM_REFRACTIVITY>
97.85819999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029477
     RDKit          3D
Isomangiferin
 48 51  0  0  0  0  0  0  0  0999 V2000
    4.1177    2.2677   -0.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1813    1.4801   -0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071    0.3645    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525    0.0890    0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632   -1.0159    1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915   -1.3301    2.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8038   -1.8977    1.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227   -3.0200    2.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -1.6169    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.4987    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670   -0.2559    0.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9216    0.8152   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3766    0.9290   -1.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911    0.0048   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -0.7249    0.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4006   -0.4899    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043   -1.1274    2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4623   -0.9036    3.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.9410    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6923   -0.0637    0.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930   -1.0039   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5927   -0.1765   -1.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885   -0.6663   -1.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -1.9911   -1.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    2.0280   -2.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    2.2821   -2.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864    2.9678   -2.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484    2.8153   -1.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102    3.6714   -2.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332    1.7018   -0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374    0.7990    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188   -0.7681    2.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159   -3.1847    3.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485   -2.2982    1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    0.8431   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082    0.6432    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -2.2224    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -0.7337    3.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9113   -0.0584    2.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839   -1.9320    0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8252    0.5944    0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379   -2.0293   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -0.3514   -2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2871   -2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631   -2.4510   -1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469    1.7495   -2.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    3.8309   -2.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354    4.1631   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 13 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 10  3  1  0
 30 12  1  0
 23 14  1  0
  4 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 29 48  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       0.001   5.390   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   1.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.001   0.770   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -5.335   3.850   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.000   3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.666   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.333   3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.333   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.666   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.000   1.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -5.335   0.770   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.668   5.390   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.668   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.003   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.003   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.668   0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.003  -1.540   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.003  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  -3.850   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.335  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.001  -0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.334  -1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -3.080   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.001  -3.850   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.335   0.770   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.668  -3.850   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.668  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4   15                                                  
CONECT    4    3    5   18                                                  
CONECT    5    4   10                                                       
CONECT    6    7                                                            
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    2    8   10                                                  
CONECT   10    5    9   11                                                  
CONECT   11   10   12                                                       
CONECT   12    7   11   13                                                  
CONECT   13   12                                                            
CONECT   14   15                                                            
CONECT   15    3   14   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   28                                                  
CONECT   18    4   17   19                                                  
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   29                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   25                                                            
CONECT   25   19   24   26                                                  
CONECT   26   25   27   29                                                  
CONECT   27   26                                                            
CONECT   28   17                                                            
CONECT   29   21   26   30                                                  
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

COMPND    HMDB0029477
HETATM    1  O1  UNL     1       4.118   2.268  -0.658  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.181   1.480  -0.448  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.407   0.365   0.334  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.652   0.089   0.900  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.863  -1.016   1.672  1.00  0.00           C  
HETATM    6  O2  UNL     1       6.091  -1.330   2.254  1.00  0.00           O  
HETATM    7  C5  UNL     1       3.804  -1.898   1.905  1.00  0.00           C  
HETATM    8  O3  UNL     1       4.023  -3.020   2.695  1.00  0.00           O  
HETATM    9  C6  UNL     1       2.578  -1.617   1.341  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.348  -0.499   0.555  1.00  0.00           C  
HETATM   11  O4  UNL     1       1.167  -0.256   0.028  1.00  0.00           O  
HETATM   12  C8  UNL     1       0.922   0.815  -0.735  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.377   0.929  -1.231  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.391   0.005  -0.802  1.00  0.00           C  
HETATM   15  O5  UNL     1      -1.239  -0.725   0.352  1.00  0.00           O  
HETATM   16  C11 UNL     1      -2.401  -0.490   1.091  1.00  0.00           C  
HETATM   17  C12 UNL     1      -2.304  -1.127   2.433  1.00  0.00           C  
HETATM   18  O6  UNL     1      -3.462  -0.904   3.176  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.645  -0.941   0.384  1.00  0.00           C  
HETATM   20  O7  UNL     1      -4.692  -0.064   0.750  1.00  0.00           O  
HETATM   21  C14 UNL     1      -3.593  -1.004  -1.089  1.00  0.00           C  
HETATM   22  O8  UNL     1      -4.593  -0.176  -1.689  1.00  0.00           O  
HETATM   23  C15 UNL     1      -2.288  -0.666  -1.750  1.00  0.00           C  
HETATM   24  O9  UNL     1      -1.669  -1.991  -1.909  1.00  0.00           O  
HETATM   25  C16 UNL     1      -0.606   2.028  -2.018  1.00  0.00           C  
HETATM   26  O10 UNL     1      -1.846   2.282  -2.558  1.00  0.00           O  
HETATM   27  C17 UNL     1       0.386   2.968  -2.310  1.00  0.00           C  
HETATM   28  C18 UNL     1       1.648   2.815  -1.799  1.00  0.00           C  
HETATM   29  O11 UNL     1       2.610   3.671  -2.044  1.00  0.00           O  
HETATM   30  C19 UNL     1       1.933   1.702  -0.983  1.00  0.00           C  
HETATM   31  H1  UNL     1       5.437   0.799   0.684  1.00  0.00           H  
HETATM   32  H2  UNL     1       6.919  -0.768   2.151  1.00  0.00           H  
HETATM   33  H3  UNL     1       4.916  -3.185   3.093  1.00  0.00           H  
HETATM   34  H4  UNL     1       1.748  -2.298   1.517  1.00  0.00           H  
HETATM   35  H5  UNL     1      -2.220   0.843  -0.382  1.00  0.00           H  
HETATM   36  H6  UNL     1      -2.408   0.643   1.260  1.00  0.00           H  
HETATM   37  H7  UNL     1      -2.133  -2.222   2.286  1.00  0.00           H  
HETATM   38  H8  UNL     1      -1.445  -0.734   3.028  1.00  0.00           H  
HETATM   39  H9  UNL     1      -3.911  -0.058   2.975  1.00  0.00           H  
HETATM   40  H10 UNL     1      -3.984  -1.932   0.810  1.00  0.00           H  
HETATM   41  H11 UNL     1      -4.825   0.594   0.042  1.00  0.00           H  
HETATM   42  H12 UNL     1      -3.938  -2.029  -1.418  1.00  0.00           H  
HETATM   43  H13 UNL     1      -4.434  -0.351  -2.672  1.00  0.00           H  
HETATM   44  H14 UNL     1      -2.412  -0.287  -2.761  1.00  0.00           H  
HETATM   45  H15 UNL     1      -1.763  -2.451  -1.049  1.00  0.00           H  
HETATM   46  H16 UNL     1      -2.647   1.750  -2.334  1.00  0.00           H  
HETATM   47  H17 UNL     1       0.138   3.831  -2.948  1.00  0.00           H  
HETATM   48  H18 UNL     1       3.335   4.163  -2.131  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   30
CONECT    3    4    4   10
CONECT    4    5   31
CONECT    5    6    7    7
CONECT    6   32
CONECT    7    8    9
CONECT    8   33
CONECT    9   10   10   34
CONECT   10   11
CONECT   11   12
CONECT   12   13   13   30
CONECT   13   14   25
CONECT   14   15   23   35
CONECT   15   16
CONECT   16   17   19   36
CONECT   17   18   37   38
CONECT   18   39
CONECT   19   20   21   40
CONECT   20   41
CONECT   21   22   23   42
CONECT   22   43
CONECT   23   24   44
CONECT   24   45
CONECT   25   26   27   27
CONECT   26   46
CONECT   27   28   47
CONECT   28   29   30   30
CONECT   29   48
END

HMDB0029477
     RDKit          3D
Isomangiferin
 48 51  0  0  0  0  0  0  0  0999 V2000
    4.1177    2.2677   -0.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1813    1.4801   -0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071    0.3645    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525    0.0890    0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632   -1.0159    1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915   -1.3301    2.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8038   -1.8977    1.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227   -3.0200    2.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -1.6169    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.4987    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670   -0.2559    0.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9216    0.8152   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3766    0.9290   -1.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911    0.0048   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -0.7249    0.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4006   -0.4899    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043   -1.1274    2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4623   -0.9036    3.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.9410    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6923   -0.0637    0.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930   -1.0039   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5927   -0.1765   -1.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885   -0.6663   -1.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -1.9911   -1.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    2.0280   -2.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    2.2821   -2.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864    2.9678   -2.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484    2.8153   -1.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102    3.6714   -2.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332    1.7018   -0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374    0.7990    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188   -0.7681    2.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159   -3.1847    3.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485   -2.2982    1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    0.8431   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082    0.6432    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -2.2224    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -0.7337    3.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9113   -0.0584    2.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839   -1.9320    0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8252    0.5944    0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379   -2.0293   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -0.3514   -2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2871   -2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631   -2.4510   -1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469    1.7495   -2.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    3.8309   -2.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354    4.1631   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 13 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 10  3  1  0
 30 12  1  0
 23 14  1  0
  4 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 29 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-b-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9ci	HMDB
4-Glucosyl-1,3,6,7-tetrahydroxyxanthone	HMDB

Chemical Formula

C₁₉H₁₈O₁₁

Average Molecular Weight

422.3396

Monoisotopic Molecular Weight

422.084911418

IUPAC Name

1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one

Traditional Name

1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

CAS Registry Number

24699-16-9

SMILES

OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O

InChI Identifier

InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2

InChI Key

CDYBOKJASDEORM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Phenolic glycoside
Xanthone
Hexose monosaccharide
C-glycosyl compound
Chromone
Glycosyl compound
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Benzenoid
Pyran
Oxane
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Oxacycle
Polyol
Dialkyl ether
Ether
Primary alcohol
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029477)
Cytoplasm (HMDB: HMDB0029477)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029477)

Source

Endogenous

Endogenous (HMDB: HMDB0029477)

Plant

Plant (HMDB: HMDB0029477)

Exogenous

Food

Food (HMDB: HMDB0029477)

Fruit

Fruits (FooDB: FOOD00871)

Tropical fruit

Mango (FooDB: FOOD00106)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Antimicrobial agent

Antiviral

Antiviral (HMDB: HMDB0029477)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	260 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	467.8 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.06 g/L	ALOGPS
logP	-0.13	ALOGPS
logP	-0.36	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	7.02	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	197.37 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	97.86 m³·mol⁻¹	ChemAxon
Polarizability	39.3 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	196.594	31661259
DarkChem	[M-H]-	189.996	31661259
DeepCCS	[M+H]+	189.787	30932474
DeepCCS	[M-H]-	187.391	30932474
DeepCCS	[M-2H]-	220.437	30932474
DeepCCS	[M+Na]+	195.806	30932474
AllCCS	[M+H]+	198.1	32859911
AllCCS	[M+H-H2O]+	195.4	32859911
AllCCS	[M+NH4]+	200.6	32859911
AllCCS	[M+Na]+	201.3	32859911
AllCCS	[M-H]-	196.3	32859911
AllCCS	[M+Na-2H]-	196.5	32859911
AllCCS	[M+HCOO]-	196.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Isomangiferin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O	5426.5	Standard polar	33892256
Isomangiferin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O	3504.9	Standard non polar	33892256
Isomangiferin	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O	4182.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Isomangiferin,1TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4169.7	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #2	C[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)OC(CO)C(O)C1O	4188.1	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C1O	4234.3	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C1O	4210.3	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O	4201.5	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4239.3	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O)=CC(O)=C1C2=O	4218.6	Semi standard non polar	33892256
Isomangiferin,1TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4212.6	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4072.7	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=CC(O)=C1C2=O	4092.4	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	4080.5	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C1O	4071.1	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #13	C[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C	4097.8	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #14	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C1O[Si](C)(C)C	4092.8	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4100.0	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4149.4	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=CC(O)=C1C2=O	4102.0	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #18	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	4088.5	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4091.3	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4126.3	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4138.2	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #21	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=CC(O)=C1C2=O	4095.2	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	4083.9	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O	4163.3	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #24	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=CC(O)=C1C2=O	4146.7	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4125.0	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #26	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4175.7	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #27	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O)=CC(O[Si](C)(C)C)=C1C2=O	4193.3	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #28	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4129.4	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	4097.5	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	4094.2	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4056.5	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4083.8	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4068.4	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4090.8	Semi standard non polar	33892256
Isomangiferin,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4134.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	3969.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3978.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3965.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3988.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3940.9	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3951.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3947.9	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #16	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3936.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #17	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3948.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #18	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3942.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #19	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3952.8	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3939.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #20	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3956.7	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #21	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3961.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3986.7	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #23	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3946.9	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #24	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3934.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3958.1	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3970.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	3991.1	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4004.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #29	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3963.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	3931.7	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #30	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3978.5	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=CC(O)=C1C2=O	3953.9	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #32	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=CC(O)=C1C2=O	3967.1	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #33	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3997.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #34	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3941.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #35	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3956.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4010.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3977.8	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4009.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=CC(O)=C1C2=O	3973.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3933.1	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3961.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3971.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #42	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3925.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #43	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3907.4	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #44	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3936.7	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #45	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3956.1	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #46	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3985.9	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3990.4	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #48	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3946.2	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #49	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3932.5	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3943.8	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3965.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3979.9	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3999.0	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	4003.8	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	3977.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4022.4	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #56	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4060.7	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3939.3	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3986.5	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	3978.6	Semi standard non polar	33892256
Isomangiferin,3TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3964.3	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3797.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3759.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3748.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3777.5	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3832.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3847.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3850.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #16	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3886.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #17	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3794.5	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #18	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3790.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #19	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3816.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	3780.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #20	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3780.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #21	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3776.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #22	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3802.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #23	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3848.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #24	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3864.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #25	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3871.5	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #26	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3859.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #27	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3849.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #28	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3869.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #29	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3811.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3844.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #30	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3831.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #31	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3833.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #32	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3802.5	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #33	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3820.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #34	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3821.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #35	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3887.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3807.3	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3787.3	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3854.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3859.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3833.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3786.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3791.6	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #42	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3860.6	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #43	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3766.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #44	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3774.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3875.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	3897.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #47	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3785.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #48	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3803.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #49	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3792.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3854.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3810.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3883.7	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=CC(O)=C1C2=O	3858.6	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3863.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3874.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3846.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #56	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3861.5	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3793.6	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3775.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #59	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3796.5	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3856.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #60	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3815.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #61	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3872.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #62	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3804.0	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #63	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3786.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #64	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3821.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #65	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3842.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #66	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3795.8	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #67	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3774.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #68	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3853.3	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #69	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3874.9	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3774.1	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #70	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	3904.4	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3766.2	Semi standard non polar	33892256
Isomangiferin,4TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3792.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O	3748.7	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3772.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3731.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3724.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3740.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3693.4	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3706.5	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #16	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3705.8	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #17	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3684.5	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #18	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3695.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #19	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3695.8	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3680.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #20	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3820.0	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #21	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3746.7	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #22	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3748.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #23	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3759.9	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #24	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3709.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #25	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3724.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #26	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3728.9	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #27	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3701.0	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #28	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3712.8	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #29	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3718.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3733.0	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #30	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3841.5	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #31	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3783.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #32	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3798.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #33	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3797.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #34	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3788.7	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #35	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3783.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3705.1	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3713.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1O2	3778.4	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3695.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3688.0	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3704.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #41	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3800.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #42	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C1C2=O	3733.1	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #43	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3756.4	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #44	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3759.0	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #45	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3724.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #46	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3735.4	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #47	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C1C2=O	3747.2	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #48	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3774.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #49	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3772.8	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3671.4	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3819.6	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3712.3	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3706.8	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3763.9	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3780.1	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1O2	3764.0	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #56	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1O2	3772.4	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3729.5	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3680.5	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3760.8	Semi standard non polar	33892256
Isomangiferin,5TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3782.2	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	3703.0	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3736.1	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3706.4	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3726.0	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3706.1	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3694.9	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3696.5	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #16	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3725.6	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #17	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3743.0	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #18	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3731.7	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #19	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3717.0	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	3714.4	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #20	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3717.4	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #21	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3790.3	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C2=O	3689.9	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #23	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1O2	3726.5	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #24	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3716.9	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3687.6	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #26	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3739.8	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #27	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1O2	3759.5	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #28	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1O2	3716.2	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	3704.7	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3664.1	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3679.8	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3665.5	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3663.7	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3678.1	Semi standard non polar	33892256
Isomangiferin,6TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3665.1	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4450.8	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)OC(CO)C(O)C1O	4469.1	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C1O	4490.7	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C1O	4465.3	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O	4436.9	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4471.6	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O)=CC(O)=C1C2=O	4466.3	Semi standard non polar	33892256
Isomangiferin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4467.9	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4551.8	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C1C2=O	4571.3	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4562.6	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C1O	4570.5	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4588.4	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C1O[Si](C)(C)C(C)(C)C	4571.9	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4561.0	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4610.3	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=CC(O)=C1C2=O	4574.9	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4564.2	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4551.3	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4601.0	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4596.8	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=CC(O)=C1C2=O	4557.1	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4548.5	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O	4590.1	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4575.1	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4558.9	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4610.7	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4624.4	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4568.6	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4571.9	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	4563.0	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4555.7	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4575.4	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4550.6	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4565.1	Semi standard non polar	33892256
Isomangiferin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4609.9	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O	4622.7	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4640.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4619.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4629.3	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4600.7	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4619.2	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4596.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4587.5	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4604.5	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4581.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4591.2	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4617.5	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4614.3	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4607.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4639.2	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4626.2	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4608.4	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4607.4	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4607.1	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4645.0	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4642.3	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4640.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	4600.5	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4656.4	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C1C2=O	4604.5	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C1C2=O	4614.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4632.1	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4588.4	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C1O2	4601.7	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4629.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4591.2	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4625.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=CC(O)=C1C2=O	4599.9	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4590.7	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4586.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4631.1	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4615.7	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4598.1	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4633.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4649.9	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4623.4	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4619.1	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4600.6	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4583.4	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4611.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4621.0	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4637.1	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4602.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4687.2	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4669.7	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4683.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4718.8	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4590.3	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4651.3	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	4637.9	Semi standard non polar	33892256
Isomangiferin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4624.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4673.9	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4607.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4652.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4606.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4628.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4646.2	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4637.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4712.1	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4650.5	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4693.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4644.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O	4657.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4640.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4682.9	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4634.5	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4662.5	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4682.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4672.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4656.5	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4676.5	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4649.5	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4627.9	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4651.8	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4639.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4635.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4618.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4628.8	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4623.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4680.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4693.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4673.9	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4659.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4661.2	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4688.2	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4637.1	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4642.3	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4698.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4618.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C1O2	4627.2	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4633.8	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C1=CC(O)=C(O)C=C1O2	4665.8	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4655.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4672.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C1O2	4658.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC2=CC(O)=C(O)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4648.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4672.4	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4725.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C1C2=O	4652.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C1O2	4663.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C1O2	4667.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C1O2	4643.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=C(O)C=C3OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4646.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C1C2=O	4635.4	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4620.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4653.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O	4682.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4667.9	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4652.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4717.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4700.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4681.9	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1O2	4705.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC1=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C2=O	4679.6	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4662.0	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4672.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1O2	4695.7	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4619.4	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C1O2	4757.4	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4665.4	Semi standard non polar	33892256
Isomangiferin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4618.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-4369200000-758a8c37611a4a7f8cbb	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (3 TMS) - 70eV, Positive	splash10-00di-8100379000-5c19cf1f027a5c4b8d69	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_4_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_4_41) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_4_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_4_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_5_37) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_5_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_5_41) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_5_42) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_5_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_5_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_6_22) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_6_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_6_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TMS_6_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TBDMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TBDMS_4_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TBDMS_4_41) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TBDMS_4_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS (TBDMS_4_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isomangiferin GC-MS ("Isomangiferin,3TMS,#26" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 10V, Positive-QTOF	splash10-05fr-0011900000-9336a56c4db9091cea10	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 20V, Positive-QTOF	splash10-05fr-5444900000-c5cb47241622b32a5ad5	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 40V, Positive-QTOF	splash10-059i-3091000000-b625f18febc3cc76d33d	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 10V, Negative-QTOF	splash10-00di-1012900000-9d1b4a8435cdf51be608	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 20V, Negative-QTOF	splash10-0kmi-9457600000-bf48d150a69446599f51	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 40V, Negative-QTOF	splash10-052f-9263000000-f9770e589aca19df1125	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 10V, Negative-QTOF	splash10-00di-0004900000-1a316b51bf4d659d740a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 20V, Negative-QTOF	splash10-0v4r-0039300000-da3847145b01ea0f9fdd	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 40V, Negative-QTOF	splash10-060c-7496100000-e7090df73edcd9081bd7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 10V, Positive-QTOF	splash10-00di-0011900000-1dd32387166aa91b1e9d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 20V, Positive-QTOF	splash10-00di-1195600000-dd9a02c660664bfc17e5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isomangiferin 40V, Positive-QTOF	splash10-00dr-5293000000-6ddcaaac247617032898	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15559961

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1809771

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Zheng MS, Lu ZY: Antiviral effect of mangiferin and isomangiferin on herpes simplex virus. Chin Med J (Engl). 1990 Feb;103(2):160-5. [PubMed:2167819 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Isomangiferin (HMDB0029477)

MOL for HMDB0029477 (Isomangiferin)

3D MOL for HMDB0029477 (Isomangiferin)

3D SDF for HMDB0029477 (Isomangiferin)

3D-SDF for HMDB0029477 (Isomangiferin)

PDB for HMDB0029477 (Isomangiferin)

3D PDB for HMDB0029477 (Isomangiferin)

SMILES for HMDB0029477 (Isomangiferin)

INCHI for HMDB0029477 (Isomangiferin)

Structure for HMDB0029477 (Isomangiferin)

3D Structure for HMDB0029477 (Isomangiferin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra