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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:13:03 UTC

Update Date

2022-03-07 02:55:34 UTC

HMDB ID

HMDB0037949

Secondary Accession Numbers

HMDB37949

Metabolite Identification

Common Name

Catechin 7-glucoside

Description

Catechin 7-glucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Catechin 7-glucoside has been detected, but not quantified in, several different foods, such as adzuki beans (Vigna angularis), barleys (Hordeum vulgare), green vegetables, and pulses. This could make catechin 7-glucoside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Catechin 7-glucoside.

Structure

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

  Mrv0541 05061310072D          

 32 35  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30  9  1  0  0  0  0
 30 21  1  0  0  0  0
 31 15  1  0  0  0  0
 31 20  1  0  0  0  0
 32 16  1  0  0  0  0
 32 21  1  0  0  0  0
M  END

HMDB0037949
     RDKit          3D
Catechin 7-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    6.3694   -2.6139   -1.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229   -1.2336   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -0.8706    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3087   -1.2126    0.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460   -0.1603    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.6994    0.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -0.2470    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    0.7840   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072    1.1737   -1.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    2.2273   -2.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986    0.5485   -1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440   -0.4954   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -0.8647    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -1.1301   -0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -1.1546   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9305   -0.8529   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545   -1.6079   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.3198    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4038   -0.2764    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6425   -0.0457    1.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2835    0.4782    1.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3427    1.5368    2.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0703    0.1798    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -0.3112   -2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5733    0.0883   -2.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.9366   -1.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    0.3725    1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7367   -0.6148    2.9402 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085    1.0004    1.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    2.3797    1.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.6041    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091    0.8443    0.7375 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444   -3.0252   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423   -0.7377   -1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657   -0.9471   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -1.4158    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    0.6652   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    1.3376   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868    2.5366   -2.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -1.6897    1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986   -2.2227   -1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732   -2.4362   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1551   -1.9148   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8842    0.6541    2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2229    1.7393    2.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1784    0.7815    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074   -0.8913   -2.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0025    0.8439   -2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251    1.4096   -2.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    1.6699   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    1.1571    2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097   -1.4015    2.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836    0.6295    2.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5299    2.7721    2.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4629    1.2502   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4522    1.7919    0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 15 24  1  0
 24 25  1  0
 24 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 13  7  1  0
 23 16  1  0
 26 11  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  5 37  1  0
  8 38  1  0
 10 39  1  0
 13 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 26 50  1  0
 27 51  1  0
 28 52  1  0
 29 53  1  0
 30 54  1  0
 31 55  1  0
 32 56  1  0
M  END

  Mrv0541 05061310072D          

 32 35  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30  9  1  0  0  0  0
 30 21  1  0  0  0  0
 31 15  1  0  0  0  0
 31 20  1  0  0  0  0
 32 16  1  0  0  0  0
 32 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037949

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2

> <INCHI_KEY>
VLFIBROLAXKPQK-UHFFFAOYSA-N

> <FORMULA>
C21H24O11

> <MOLECULAR_WEIGHT>
452.4087

> <EXACT_MASS>
452.13186161

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
43.65313146949786

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.54

> <JCHEM_LOGP>
-0.47296107800000037

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.70392209327513

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.041107632548302

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343758645

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
106.14409999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037949
     RDKit          3D
Catechin 7-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    6.3694   -2.6139   -1.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229   -1.2336   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -0.8706    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3087   -1.2126    0.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460   -0.1603    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.6994    0.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -0.2470    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    0.7840   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072    1.1737   -1.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    2.2273   -2.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986    0.5485   -1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440   -0.4954   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -0.8647    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -1.1301   -0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -1.1546   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9305   -0.8529   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545   -1.6079   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.3198    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4038   -0.2764    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6425   -0.0457    1.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2835    0.4782    1.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3427    1.5368    2.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0703    0.1798    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -0.3112   -2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5733    0.0883   -2.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.9366   -1.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    0.3725    1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7367   -0.6148    2.9402 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085    1.0004    1.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    2.3797    1.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.6041    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091    0.8443    0.7375 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444   -3.0252   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423   -0.7377   -1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657   -0.9471   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -1.4158    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    0.6652   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    1.3376   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868    2.5366   -2.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -1.6897    1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986   -2.2227   -1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732   -2.4362   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1551   -1.9148   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8842    0.6541    2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2229    1.7393    2.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1784    0.7815    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074   -0.8913   -2.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0025    0.8439   -2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251    1.4096   -2.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    1.6699   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    1.1571    2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097   -1.4015    2.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836    0.6295    2.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5299    2.7721    2.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4629    1.2502   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4522    1.7919    0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 15 24  1  0
 24 25  1  0
 24 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 13  7  1  0
 23 16  1  0
 26 11  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  5 37  1  0
  8 38  1  0
 10 39  1  0
 13 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 26 50  1  0
 27 51  1  0
 28 52  1  0
 29 53  1  0
 30 54  1  0
 31 55  1  0
 32 56  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1   11                                                       
CONECT    3    8   13                                                       
CONECT    4    9   12                                                       
CONECT    5    9   15                                                       
CONECT    6   10   14                                                       
CONECT    7   16   22                                                       
CONECT    8    1    3   20                                                  
CONECT    9    4    5   30                                                  
CONECT   10    6   12   15                                                  
CONECT   11    2   13   23                                                  
CONECT   12    4   10   24                                                  
CONECT   13    3   11   25                                                  
CONECT   14    6   20   26                                                  
CONECT   15    5   10   31                                                  
CONECT   16    7   17   32                                                  
CONECT   17   16   18   27                                                  
CONECT   18   17   19   28                                                  
CONECT   19   18   21   29                                                  
CONECT   20    8   14   31                                                  
CONECT   21   19   30   32                                                  
CONECT   22    7                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   19                                                            
CONECT   30    9   21                                                       
CONECT   31   15   20                                                       
CONECT   32   16   21                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0037949
HETATM    1  O1  UNL     1       6.369  -2.614  -1.140  1.00  0.00           O  
HETATM    2  C1  UNL     1       6.423  -1.234  -0.899  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.635  -0.871   0.346  1.00  0.00           C  
HETATM    4  O2  UNL     1       4.309  -1.213   0.249  1.00  0.00           O  
HETATM    5  C3  UNL     1       3.446  -0.160   0.592  1.00  0.00           C  
HETATM    6  O3  UNL     1       2.175  -0.699   0.743  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.057  -0.247   0.070  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.083   0.784  -0.821  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.107   1.174  -1.458  1.00  0.00           C  
HETATM   10  O4  UNL     1      -0.065   2.227  -2.360  1.00  0.00           O  
HETATM   11  C7  UNL     1      -1.299   0.549  -1.213  1.00  0.00           C  
HETATM   12  C8  UNL     1      -1.344  -0.495  -0.315  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.183  -0.865   0.297  1.00  0.00           C  
HETATM   14  O5  UNL     1      -2.557  -1.130  -0.064  1.00  0.00           O  
HETATM   15  C10 UNL     1      -3.630  -1.155  -0.971  1.00  0.00           C  
HETATM   16  C11 UNL     1      -4.930  -0.853  -0.313  1.00  0.00           C  
HETATM   17  C12 UNL     1      -6.054  -1.608  -0.579  1.00  0.00           C  
HETATM   18  C13 UNL     1      -7.255  -1.320   0.036  1.00  0.00           C  
HETATM   19  C14 UNL     1      -7.404  -0.276   0.942  1.00  0.00           C  
HETATM   20  O6  UNL     1      -8.643  -0.046   1.522  1.00  0.00           O  
HETATM   21  C15 UNL     1      -6.283   0.478   1.209  1.00  0.00           C  
HETATM   22  O7  UNL     1      -6.343   1.537   2.098  1.00  0.00           O  
HETATM   23  C16 UNL     1      -5.070   0.180   0.581  1.00  0.00           C  
HETATM   24  C17 UNL     1      -3.385  -0.311  -2.174  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.573   0.088  -2.770  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.550   0.937  -1.883  1.00  0.00           C  
HETATM   27  C19 UNL     1       3.846   0.372   1.975  1.00  0.00           C  
HETATM   28  O9  UNL     1       3.737  -0.615   2.940  1.00  0.00           O  
HETATM   29  C20 UNL     1       5.208   1.000   1.938  1.00  0.00           C  
HETATM   30  O10 UNL     1       5.156   2.380   1.960  1.00  0.00           O  
HETATM   31  C21 UNL     1       5.845   0.604   0.607  1.00  0.00           C  
HETATM   32  O11 UNL     1       7.209   0.844   0.738  1.00  0.00           O  
HETATM   33  H1  UNL     1       5.944  -3.025  -0.353  1.00  0.00           H  
HETATM   34  H2  UNL     1       6.042  -0.738  -1.807  1.00  0.00           H  
HETATM   35  H3  UNL     1       7.466  -0.947  -0.731  1.00  0.00           H  
HETATM   36  H4  UNL     1       6.118  -1.416   1.187  1.00  0.00           H  
HETATM   37  H5  UNL     1       3.509   0.665  -0.110  1.00  0.00           H  
HETATM   38  H6  UNL     1       1.967   1.338  -1.081  1.00  0.00           H  
HETATM   39  H7  UNL     1      -0.887   2.537  -2.815  1.00  0.00           H  
HETATM   40  H8  UNL     1      -0.234  -1.690   1.002  1.00  0.00           H  
HETATM   41  H9  UNL     1      -3.699  -2.223  -1.331  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.973  -2.436  -1.286  1.00  0.00           H  
HETATM   43  H11 UNL     1      -8.155  -1.915  -0.169  1.00  0.00           H  
HETATM   44  H12 UNL     1      -8.884   0.654   2.174  1.00  0.00           H  
HETATM   45  H13 UNL     1      -7.223   1.739   2.543  1.00  0.00           H  
HETATM   46  H14 UNL     1      -4.178   0.781   0.794  1.00  0.00           H  
HETATM   47  H15 UNL     1      -2.807  -0.891  -2.931  1.00  0.00           H  
HETATM   48  H16 UNL     1      -5.003   0.844  -2.279  1.00  0.00           H  
HETATM   49  H17 UNL     1      -2.425   1.410  -2.877  1.00  0.00           H  
HETATM   50  H18 UNL     1      -3.144   1.670  -1.284  1.00  0.00           H  
HETATM   51  H19 UNL     1       3.105   1.157   2.228  1.00  0.00           H  
HETATM   52  H20 UNL     1       4.310  -1.402   2.768  1.00  0.00           H  
HETATM   53  H21 UNL     1       5.884   0.629   2.745  1.00  0.00           H  
HETATM   54  H22 UNL     1       5.530   2.772   2.799  1.00  0.00           H  
HETATM   55  H23 UNL     1       5.463   1.250  -0.193  1.00  0.00           H  
HETATM   56  H24 UNL     1       7.452   1.792   0.609  1.00  0.00           H  
CONECT    1    2   33
CONECT    2    3   34   35
CONECT    3    4   31   36
CONECT    4    5
CONECT    5    6   27   37
CONECT    6    7
CONECT    7    8    8   13
CONECT    8    9   38
CONECT    9   10   11   11
CONECT   10   39
CONECT   11   12   26
CONECT   12   13   13   14
CONECT   13   40
CONECT   14   15
CONECT   15   16   24   41
CONECT   16   17   17   23
CONECT   17   18   42
CONECT   18   19   19   43
CONECT   19   20   21
CONECT   20   44
CONECT   21   22   23   23
CONECT   22   45
CONECT   23   46
CONECT   24   25   26   47
CONECT   25   48
CONECT   26   49   50
CONECT   27   28   29   51
CONECT   28   52
CONECT   29   30   31   53
CONECT   30   54
CONECT   31   32   55
CONECT   32   56
END

HMDB0037949
     RDKit          3D
Catechin 7-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    6.3694   -2.6139   -1.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229   -1.2336   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -0.8706    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3087   -1.2126    0.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460   -0.1603    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.6994    0.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -0.2470    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    0.7840   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072    1.1737   -1.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    2.2273   -2.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986    0.5485   -1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440   -0.4954   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -0.8647    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -1.1301   -0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -1.1546   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9305   -0.8529   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545   -1.6079   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.3198    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4038   -0.2764    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6425   -0.0457    1.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2835    0.4782    1.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3427    1.5368    2.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0703    0.1798    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -0.3112   -2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5733    0.0883   -2.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.9366   -1.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    0.3725    1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7367   -0.6148    2.9402 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085    1.0004    1.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    2.3797    1.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.6041    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091    0.8443    0.7375 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444   -3.0252   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423   -0.7377   -1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657   -0.9471   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -1.4158    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    0.6652   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    1.3376   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868    2.5366   -2.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -1.6897    1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986   -2.2227   -1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732   -2.4362   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1551   -1.9148   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8842    0.6541    2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2229    1.7393    2.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1784    0.7815    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074   -0.8913   -2.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0025    0.8439   -2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251    1.4096   -2.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    1.6699   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    1.1571    2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097   -1.4015    2.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836    0.6295    2.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5299    2.7721    2.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4629    1.2502   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4522    1.7919    0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 15 24  1  0
 24 25  1  0
 24 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 13  7  1  0
 23 16  1  0
 26 11  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  5 37  1  0
  8 38  1  0
 10 39  1  0
 13 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 26 50  1  0
 27 51  1  0
 28 52  1  0
 29 53  1  0
 30 54  1  0
 31 55  1  0
 32 56  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(+)-Catechin 7-O-beta-D-xyloside	HMDB
Catechim 7-O-beta-D-xyloside	HMDB
Catechin 7-O-beta-D-glucopyranoside	HMDB
Catechin 7-O-beta-D-xyloside	HMDB

Chemical Formula

C₂₁H₂₄O₁₁

Average Molecular Weight

452.4087

Monoisotopic Molecular Weight

452.13186161

IUPAC Name

2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

65597-47-9

SMILES

OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2

InChI Key

VLFIBROLAXKPQK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
Catechin
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavan-3-ol
Hydroxyflavonoid
Flavan
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Catechol
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Oxacycle
Polyol
Acetal
Ether
Organoheterocyclic compound
Primary alcohol
Organooxygen compound
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037949)
Cytoplasm (HMDB: HMDB0037949)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037949)

Source

Exogenous

Exogenous (HMDB: HMDB0037949)

Food

Food (HMDB: HMDB0037949)

Cereal and cereal product

Cereal

Barley (FooDB: FOOD00088)

Pulse

Bean

Adzuki bean (FooDB: FOOD00198)

Pulses (FooDB: FOOD00867)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Not Available

Nutrient (HMDB: HMDB0037949)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	214 - 216 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2 g/L	ALOGPS
logP	-0.54	ALOGPS
logP	-0.47	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	9.04	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	106.14 m³·mol⁻¹	ChemAxon
Polarizability	43.65 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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]+	203.132	31661259
DarkChem	[M-H]-	201.657	31661259
DeepCCS	[M+H]+	202.664	30932474
DeepCCS	[M-H]-	200.306	30932474
DeepCCS	[M-2H]-	233.549	30932474
DeepCCS	[M+Na]+	208.789	30932474
AllCCS	[M+H]+	205.3	32859911
AllCCS	[M+H-H2O]+	203.0	32859911
AllCCS	[M+NH4]+	207.4	32859911
AllCCS	[M+Na]+	207.9	32859911
AllCCS	[M-H]-	200.4	32859911
AllCCS	[M+Na-2H]-	201.1	32859911
AllCCS	[M+HCOO]-	202.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Catechin 7-glucoside	OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	4742.6	Standard polar	33892256
Catechin 7-glucoside	OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	4377.7	Standard non polar	33892256
Catechin 7-glucoside	OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	4410.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Catechin 7-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4359.6	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4365.3	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4352.9	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O)=CC=C1O	4385.8	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O)C=C1O	4411.7	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)OC(CO)C(O)C1O	4371.8	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C1O	4381.7	Semi standard non polar	33892256
Catechin 7-glucoside,1TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O	4382.2	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4266.4	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4260.1	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4265.2	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	4265.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	4237.1	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4259.2	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4264.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #16	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4262.3	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	4285.4	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	4262.3	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3CC2O)=CC=C1O	4241.1	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4298.8	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O)=CC=C1O	4220.8	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O)=CC=C1O	4240.4	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4285.0	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3CC2O)C=C1O	4272.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O	4256.6	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O	4275.8	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	4264.7	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #27	C[Si](C)(C)OC1C(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C	4284.6	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C	4276.1	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4271.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4279.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4295.7	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4285.8	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4286.3	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4248.8	Semi standard non polar	33892256
Catechin 7-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4242.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4116.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4105.8	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4133.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4098.8	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4111.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4077.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4110.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4165.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4132.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4144.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4186.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4104.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4217.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4185.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4127.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4145.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4111.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	4103.8	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	4072.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4142.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4089.8	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	4081.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4077.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	4051.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4122.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	4098.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	4068.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	4097.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	4076.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	4127.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #37	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4137.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #38	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4147.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	4099.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4162.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #40	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	4082.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #41	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4150.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	4055.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	4037.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	4091.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #45	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	4069.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4152.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O)=CC=C1O	4072.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O)=CC=C1O	4089.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4134.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4113.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O)=CC=C1O	4087.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4100.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4134.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O	4100.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O	4117.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O	4116.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4181.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4136.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4139.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4118.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4138.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	3960.0	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3991.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3952.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3962.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4061.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4102.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4050.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4014.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4058.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4009.4	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4043.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	3942.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	3994.0	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3943.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	3984.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4033.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4067.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4027.0	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	3975.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3923.1	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	3968.1	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4014.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4039.0	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4043.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4007.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4085.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4121.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4080.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4181.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #36	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4054.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #37	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3985.4	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #38	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	3973.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #39	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	3949.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3961.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #40	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4011.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	3996.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	3971.3	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3954.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #44	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3933.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	4021.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #46	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4002.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	3987.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	3963.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3921.4	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4015.1	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #50	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3895.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	3990.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3945.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #53	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3926.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	4019.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4007.1	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #56	C[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4069.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	3945.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #58	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	3927.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	3966.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4013.2	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #60	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	3948.4	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4016.8	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	3963.7	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #63	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	3944.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3959.1	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4012.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #66	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O)=CC=C1O	3995.3	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4011.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4035.3	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	4023.9	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4014.5	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O	4017.6	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3975.3	Semi standard non polar	33892256
Catechin 7-glucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3986.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	3902.5	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3921.7	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3957.7	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3924.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3929.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3931.4	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3954.1	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3922.2	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3911.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3936.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3902.7	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3890.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4044.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	3937.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3894.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	3930.4	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3992.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4016.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3984.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3916.6	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3944.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3910.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3850.1	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4021.1	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3901.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3927.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3892.6	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4004.1	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4082.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #36	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3936.6	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #37	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O	3919.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #38	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)=CC=C1O	3894.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3846.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3872.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #40	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3825.2	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	3921.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3871.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3849.1	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	3950.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3905.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3860.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #47	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3838.0	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	3933.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3873.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3874.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3903.5	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O	3906.3	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #52	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)=CC=C1O	3889.8	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3909.2	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3925.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3919.4	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C	3974.6	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3825.1	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3853.9	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3930.6	Semi standard non polar	33892256
Catechin 7-glucoside,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3978.0	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3848.5	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3919.1	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3881.4	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3896.0	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3876.2	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3873.8	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3863.2	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3884.8	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3909.5	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3882.4	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3972.8	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3818.3	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3888.9	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3876.2	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	3785.0	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #23	C[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	3765.6	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	3857.8	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3804.4	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3825.0	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3813.1	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3872.7	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3829.0	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3809.2	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3832.1	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3807.4	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3792.7	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3815.7	Semi standard non polar	33892256
Catechin 7-glucoside,6TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3792.9	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4612.5	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4604.3	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4614.4	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O)=CC=C1O	4628.4	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O)C=C1O	4651.2	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)OC(CO)C(O)C1O	4639.5	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C1O	4650.4	Semi standard non polar	33892256
Catechin 7-glucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O	4649.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4729.8	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4731.6	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4729.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)C=C1O	4753.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)=CC=C1O	4718.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4733.1	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4736.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4736.4	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O	4761.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)=CC=C1O	4733.4	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3CC2O)=CC=C1O	4729.5	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4771.6	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O)=CC=C1O	4718.3	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)=CC=C1O	4716.7	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C(C)(C)C	4771.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3CC2O)C=C1O	4767.4	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O	4759.3	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)C=C1O	4758.2	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O	4760.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4767.1	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4752.7	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4739.6	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4741.2	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4768.9	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4769.2	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4755.0	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4725.3	Semi standard non polar	33892256
Catechin 7-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4724.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4780.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4855.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4855.8	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4789.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4818.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4810.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4822.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4811.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4787.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4794.8	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4856.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4836.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4886.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4853.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4802.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4821.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4774.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)C=C1O	4842.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)=CC=C1O	4804.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	4820.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4760.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)C=C1O	4835.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4800.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)=CC=C1O	4790.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4780.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)C=C1O	4839.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)=CC=C1O	4802.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O	4823.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O[Si](C)(C)C(C)(C)C)=CC=C1O	4796.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C(C)(C)C	4861.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2OC1C1=CC=C(O)C(O)=C1	4773.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4797.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O	4790.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4836.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)=CC=C1O	4765.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C2OC1C1=CC=C(O)C(O)=C1	4791.5	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O	4771.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)=CC=C1O	4741.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O	4771.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)=CC=C1O	4743.0	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4852.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O)=CC=C1O	4790.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)=CC=C1O	4794.3	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C(C)(C)C	4850.7	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4814.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)=CC=C1O	4807.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C(C)(C)C	4832.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)C=C1O[Si](C)(C)C(C)(C)C	4838.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3CC2O)C=C1O	4832.6	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)C=C1O	4836.2	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3CC2O)C=C1O	4849.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4838.1	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(CC(O)C(C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4812.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4862.4	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4816.9	Semi standard non polar	33892256
Catechin 7-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3CC(O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4858.0	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 - Catechin 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-00ei-7913700000-a2d483a64076357099fb	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Catechin 7-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-0udi-4730109000-35a7598e79a15b26ab7f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Catechin 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - Catechin 7-glucoside 10V, Positive-QTOF	splash10-0fdx-0290500000-667e4f714b4c8b1f0e08	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 20V, Positive-QTOF	splash10-00du-0790100000-5042b880916e5027756c	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 40V, Positive-QTOF	splash10-00di-0920000000-9806e33bb4d1012da9bd	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 10V, Negative-QTOF	splash10-0udr-1361900000-177f68e48464bfd67197	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 20V, Negative-QTOF	splash10-0f79-1890100000-d4aaee5072165100077d	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 40V, Negative-QTOF	splash10-0079-2940000000-8e9ea971e8c8b45b3524	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 10V, Negative-QTOF	splash10-0udr-0490400000-dae74867ea7e56da4683	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 20V, Negative-QTOF	splash10-00dr-1190200000-ccba2d5fb986ca6f6035	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 40V, Negative-QTOF	splash10-00xr-1590000000-34596196fb0c62b399b7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 10V, Positive-QTOF	splash10-0udi-0030900000-67ae5ee040b7599f84dd	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 20V, Positive-QTOF	splash10-006x-0491100000-3018ff0c775aa69d9b92	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Catechin 7-glucoside 40V, Positive-QTOF	splash10-0006-9681000000-a10c75ffa3e01a5dd4a6	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

FDB017120

KNApSAcK ID

C00008852

Chemspider ID

Not Available

KEGG Compound ID

C09617

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14282767

PDB ID

Not Available

ChEBI ID

28117

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Catechin 7-glucoside (HMDB0037949)

MOL for HMDB0037949 (Catechin 7-glucoside)

3D MOL for HMDB0037949 (Catechin 7-glucoside)

3D SDF for HMDB0037949 (Catechin 7-glucoside)

3D-SDF for HMDB0037949 (Catechin 7-glucoside)

PDB for HMDB0037949 (Catechin 7-glucoside)

3D PDB for HMDB0037949 (Catechin 7-glucoside)

SMILES for HMDB0037949 (Catechin 7-glucoside)

INCHI for HMDB0037949 (Catechin 7-glucoside)

Structure for HMDB0037949 (Catechin 7-glucoside)

3D Structure for HMDB0037949 (Catechin 7-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra