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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:00:14 UTC

Update Date

2022-03-07 02:55:29 UTC

HMDB ID

HMDB0037747

Secondary Accession Numbers

HMDB37747

Metabolite Identification

Common Name

Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside

Description

Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 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. Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside has been detected, but not quantified in, fruits. This could make isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside.

Structure

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

  Mrv0541 05061309592D          

 42 46  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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
    3.5724   -0.4125    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    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
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    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
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    3.5724   -2.8875    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
    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
    2.8579   -2.4750    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
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    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
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    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    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
  4  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
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 23 21  1  0  0  0  0
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 31 18  1  0  0  0  0
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 34 21  1  0  0  0  0
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 36 23  1  0  0  0  0
 37  2  1  0  0  0  0
 37 15  1  0  0  0  0
 38  8  1  0  0  0  0
 38 26  1  0  0  0  0
 39  9  1  0  0  0  0
 39 27  1  0  0  0  0
 40 11  1  0  0  0  0
 40 27  1  0  0  0  0
 41 16  1  0  0  0  0
 41 24  1  0  0  0  0
 42 25  1  0  0  0  0
 42 26  1  0  0  0  0
M  END

HMDB0037747
     RDKit          3D
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    2.0861    5.0724   -2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    4.5367   -2.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    3.2493   -2.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    2.3539   -1.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409    1.0541   -1.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815    0.1473   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153    0.4831   -1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -0.2166   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065    0.2569   -1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.4769   -0.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    0.0324   -1.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0963   -0.9211   -1.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4525   -1.6592   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0774   -1.4176   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -1.8125    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -2.8926    0.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746   -1.0192   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400   -1.5064    0.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0585   -1.2379    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -2.4242    2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0297   -2.1076    3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -1.6870    3.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4713   -1.0790    5.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703   -0.6916    2.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805    0.6096    3.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337   -1.0699    1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0845   -2.3553    1.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3901    1.6089   -1.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.8849   -2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9852    3.7801   -2.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5631    4.8072   -3.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532    4.6479   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902    6.1726   -2.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    2.6244   -1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0558   -1.4707   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3149   -2.2345    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.8620    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086   -0.4703    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -3.0425    4.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.3562    3.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -2.5553    3.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508   -1.7421    5.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9842    0.9394    3.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4106    1.3114   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0
  4  5  1  0
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 20 12  1  0
  1 43  1  0
  1 44  1  0
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  4 46  1  0
  9 47  1  0
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 35 66  1  0
 36 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 42 72  1  0
M  END

  Mrv0541 05061309592D          

 42 46  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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
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    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    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
  4  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 20  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 12  1  0  0  0  0
 29 13  1  0  0  0  0
 30 14  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37  2  1  0  0  0  0
 37 15  1  0  0  0  0
 38  8  1  0  0  0  0
 38 26  1  0  0  0  0
 39  9  1  0  0  0  0
 39 27  1  0  0  0  0
 40 11  1  0  0  0  0
 40 27  1  0  0  0  0
 41 16  1  0  0  0  0
 41 24  1  0  0  0  0
 42 25  1  0  0  0  0
 42 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037747

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3

> <INCHI_KEY>
UIXIEXAWTSBGCB-UHFFFAOYSA-N

> <FORMULA>
C27H30O15

> <MOLECULAR_WEIGHT>
594.5181

> <EXACT_MASS>
594.15847029

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
57.762467583181156

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one

> <ALOGPS_LOGP>
0.17

> <JCHEM_LOGP>
-0.5897644246666665

> <ALOGPS_LOGS>
-2.49

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.097364893852383

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.22340667543563

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265985532894106

> <JCHEM_POLAR_SURFACE_AREA>
234.2899999999999

> <JCHEM_REFRACTIVITY>
138.39599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.94e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037747
     RDKit          3D
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    2.0861    5.0724   -2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    4.5367   -2.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    3.2493   -2.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    2.3539   -1.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409    1.0541   -1.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815    0.1473   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153    0.4831   -1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -0.2166   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065    0.2569   -1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.4769   -0.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    0.0324   -1.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172   -0.4754   -0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -0.6261   -2.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0963   -0.9211   -1.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3619   -2.1993   -1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7906    0.2698   -1.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1796    0.1591   -1.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3027    0.4463    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7651    1.6877    0.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8229    0.4647    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3505    1.7433   -0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -1.6592   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -2.1425    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282   -3.3152    0.9368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0774   -1.4176   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -1.8125    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -2.8926    0.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746   -1.0192   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400   -1.5064    0.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0585   -1.2379    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -2.4242    2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0297   -2.1076    3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -1.6870    3.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4713   -1.0790    5.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703   -0.6916    2.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805    0.6096    3.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337   -1.0699    1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0845   -2.3553    1.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4433    0.6989   -1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.6089   -1.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.8849   -2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9852    3.7801   -2.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5631    4.8072   -3.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532    4.6479   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902    6.1726   -2.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    2.6244   -1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    1.2041   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558   -1.4707   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4866   -1.0401   -2.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6178   -2.9587   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1254   -2.0413   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3987   -2.5273   -1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5014    1.1610   -1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4417   -0.7861   -1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7153   -0.3063    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0371    2.2637    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5154    0.1594    1.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6694    2.1266   -0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3149   -2.2345    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.8620    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086   -0.4703    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -3.0425    4.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.3562    3.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -2.5553    3.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508   -1.7421    5.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0796   -0.7224    2.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842    0.9394    3.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9574   -0.3587    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015   -2.5771    0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672   -0.2882   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4106    1.3114   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7111    4.7160   -3.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 10 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  5 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41  3  1  0
 28  6  2  0
 37 30  1  0
 25  8  1  0
 20 12  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  4 46  1  0
  9 47  1  0
 12 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 24 60  1  0
 30 61  1  0
 32 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 42 72  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       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2   37                                                            
CONECT    3    4   10                                                       
CONECT    4    3   12                                                       
CONECT    5   10   15                                                       
CONECT    6   11   13                                                       
CONECT    7   11   16                                                       
CONECT    8   14   38                                                       
CONECT    9    1   18   39                                                  
CONECT   10    3    5   24                                                  
CONECT   11    6    7   40                                                  
CONECT   12    4   15   28                                                  
CONECT   13    6   17   29                                                  
CONECT   14    8   19   30                                                  
CONECT   15    5   12   37                                                  
CONECT   16    7   17   41                                                  
CONECT   17   13   16   20                                                  
CONECT   18    9   21   31                                                  
CONECT   19   14   22   32                                                  
CONECT   20   17   25   33                                                  
CONECT   21   18   23   34                                                  
CONECT   22   19   26   35                                                  
CONECT   23   21   27   36                                                  
CONECT   24   10   25   41                                                  
CONECT   25   20   24   42                                                  
CONECT   26   22   38   42                                                  
CONECT   27   23   39   40                                                  
CONECT   28   12                                                            
CONECT   29   13                                                            
CONECT   30   14                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   23                                                            
CONECT   37    2   15                                                       
CONECT   38    8   26                                                       
CONECT   39    9   27                                                       
CONECT   40   11   27                                                       
CONECT   41   16   24                                                       
CONECT   42   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0037747
HETATM    1  C1  UNL     1       2.086   5.072  -2.479  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.378   4.537  -2.548  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.728   3.249  -2.171  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.810   2.354  -1.680  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.141   1.054  -1.295  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.082   0.147  -0.836  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.815   0.483  -1.078  1.00  0.00           O  
HETATM    8  C6  UNL     1      -0.226  -0.217  -0.737  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.507   0.257  -1.057  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.623  -0.477  -0.701  1.00  0.00           C  
HETATM   11  O3  UNL     1      -3.849   0.032  -1.037  1.00  0.00           O  
HETATM   12  C9  UNL     1      -5.117  -0.475  -0.823  1.00  0.00           C  
HETATM   13  O4  UNL     1      -5.749  -0.626  -2.038  1.00  0.00           O  
HETATM   14  C10 UNL     1      -7.096  -0.921  -1.934  1.00  0.00           C  
HETATM   15  C11 UNL     1      -7.362  -2.199  -1.191  1.00  0.00           C  
HETATM   16  C12 UNL     1      -7.791   0.270  -1.339  1.00  0.00           C  
HETATM   17  O5  UNL     1      -9.180   0.159  -1.367  1.00  0.00           O  
HETATM   18  C13 UNL     1      -7.303   0.446   0.060  1.00  0.00           C  
HETATM   19  O6  UNL     1      -7.765   1.688   0.539  1.00  0.00           O  
HETATM   20  C14 UNL     1      -5.823   0.465   0.115  1.00  0.00           C  
HETATM   21  O7  UNL     1      -5.351   1.743  -0.090  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.453  -1.659  -0.040  1.00  0.00           C  
HETATM   23  C16 UNL     1      -1.183  -2.143   0.285  1.00  0.00           C  
HETATM   24  O8  UNL     1      -1.128  -3.315   0.937  1.00  0.00           O  
HETATM   25  C17 UNL     1      -0.077  -1.418  -0.065  1.00  0.00           C  
HETATM   26  C18 UNL     1       1.204  -1.812   0.213  1.00  0.00           C  
HETATM   27  O9  UNL     1       1.395  -2.893   0.820  1.00  0.00           O  
HETATM   28  C19 UNL     1       2.275  -1.019  -0.176  1.00  0.00           C  
HETATM   29  O10 UNL     1       3.540  -1.506   0.173  1.00  0.00           O  
HETATM   30  C20 UNL     1       4.059  -1.238   1.477  1.00  0.00           C  
HETATM   31  O11 UNL     1       3.834  -2.424   2.266  1.00  0.00           O  
HETATM   32  C21 UNL     1       4.030  -2.108   3.587  1.00  0.00           C  
HETATM   33  C22 UNL     1       5.457  -1.687   3.874  1.00  0.00           C  
HETATM   34  O12 UNL     1       5.471  -1.079   5.142  1.00  0.00           O  
HETATM   35  C23 UNL     1       5.970  -0.692   2.893  1.00  0.00           C  
HETATM   36  O13 UNL     1       5.580   0.610   3.167  1.00  0.00           O  
HETATM   37  C24 UNL     1       5.534  -1.070   1.472  1.00  0.00           C  
HETATM   38  O14 UNL     1       6.085  -2.355   1.233  1.00  0.00           O  
HETATM   39  C25 UNL     1       4.443   0.699  -1.430  1.00  0.00           C  
HETATM   40  C26 UNL     1       5.390   1.609  -1.931  1.00  0.00           C  
HETATM   41  C27 UNL     1       5.051   2.885  -2.305  1.00  0.00           C  
HETATM   42  O15 UNL     1       5.985   3.780  -2.799  1.00  0.00           O  
HETATM   43  H1  UNL     1       1.563   4.807  -3.428  1.00  0.00           H  
HETATM   44  H2  UNL     1       1.553   4.648  -1.606  1.00  0.00           H  
HETATM   45  H3  UNL     1       2.090   6.173  -2.318  1.00  0.00           H  
HETATM   46  H4  UNL     1       1.764   2.624  -1.569  1.00  0.00           H  
HETATM   47  H5  UNL     1      -1.576   1.204  -1.584  1.00  0.00           H  
HETATM   48  H6  UNL     1      -5.056  -1.471  -0.348  1.00  0.00           H  
HETATM   49  H7  UNL     1      -7.487  -1.040  -2.968  1.00  0.00           H  
HETATM   50  H8  UNL     1      -6.618  -2.959  -1.567  1.00  0.00           H  
HETATM   51  H9  UNL     1      -7.125  -2.041  -0.118  1.00  0.00           H  
HETATM   52  H10 UNL     1      -8.399  -2.527  -1.372  1.00  0.00           H  
HETATM   53  H11 UNL     1      -7.501   1.161  -1.924  1.00  0.00           H  
HETATM   54  H12 UNL     1      -9.442  -0.786  -1.199  1.00  0.00           H  
HETATM   55  H13 UNL     1      -7.715  -0.306   0.768  1.00  0.00           H  
HETATM   56  H14 UNL     1      -7.037   2.264   0.832  1.00  0.00           H  
HETATM   57  H15 UNL     1      -5.515   0.159   1.154  1.00  0.00           H  
HETATM   58  H16 UNL     1      -5.669   2.127  -0.940  1.00  0.00           H  
HETATM   59  H17 UNL     1      -3.315  -2.235   0.240  1.00  0.00           H  
HETATM   60  H18 UNL     1      -0.433  -3.862   1.271  1.00  0.00           H  
HETATM   61  H19 UNL     1       3.509  -0.470   2.021  1.00  0.00           H  
HETATM   62  H20 UNL     1       3.846  -3.043   4.172  1.00  0.00           H  
HETATM   63  H21 UNL     1       3.307  -1.356   3.973  1.00  0.00           H  
HETATM   64  H22 UNL     1       6.133  -2.555   3.920  1.00  0.00           H  
HETATM   65  H23 UNL     1       5.451  -1.742   5.872  1.00  0.00           H  
HETATM   66  H24 UNL     1       7.080  -0.722   2.875  1.00  0.00           H  
HETATM   67  H25 UNL     1       5.984   0.939   3.991  1.00  0.00           H  
HETATM   68  H26 UNL     1       5.957  -0.359   0.761  1.00  0.00           H  
HETATM   69  H27 UNL     1       6.001  -2.577   0.271  1.00  0.00           H  
HETATM   70  H28 UNL     1       4.767  -0.288  -1.188  1.00  0.00           H  
HETATM   71  H29 UNL     1       6.411   1.311  -2.029  1.00  0.00           H  
HETATM   72  H30 UNL     1       5.711   4.716  -3.069  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3
CONECT    3    4    4   41
CONECT    4    5   46
CONECT    5    6   39   39
CONECT    6    7   28   28
CONECT    7    8
CONECT    8    9    9   25
CONECT    9   10   47
CONECT   10   11   22   22
CONECT   11   12
CONECT   12   13   20   48
CONECT   13   14
CONECT   14   15   16   49
CONECT   15   50   51   52
CONECT   16   17   18   53
CONECT   17   54
CONECT   18   19   20   55
CONECT   19   56
CONECT   20   21   57
CONECT   21   58
CONECT   22   23   59
CONECT   23   24   25   25
CONECT   24   60
CONECT   25   26
CONECT   26   27   27   28
CONECT   28   29
CONECT   29   30
CONECT   30   31   37   61
CONECT   31   32
CONECT   32   33   62   63
CONECT   33   34   35   64
CONECT   34   65
CONECT   35   36   37   66
CONECT   36   67
CONECT   37   38   68
CONECT   38   69
CONECT   39   40   70
CONECT   40   41   41   71
CONECT   41   42
CONECT   42   72
END

HMDB0037747
     RDKit          3D
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    2.0861    5.0724   -2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    4.5367   -2.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    3.2493   -2.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    2.3539   -1.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409    1.0541   -1.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815    0.1473   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153    0.4831   -1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -0.2166   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065    0.2569   -1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.4769   -0.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    0.0324   -1.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172   -0.4754   -0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -0.6261   -2.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0963   -0.9211   -1.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3619   -2.1993   -1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7906    0.2698   -1.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1796    0.1591   -1.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3027    0.4463    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7651    1.6877    0.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8229    0.4647    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3505    1.7433   -0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -1.6592   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -2.1425    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282   -3.3152    0.9368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0774   -1.4176   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -1.8125    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -2.8926    0.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746   -1.0192   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400   -1.5064    0.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0585   -1.2379    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -2.4242    2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0297   -2.1076    3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -1.6870    3.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4713   -1.0790    5.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703   -0.6916    2.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805    0.6096    3.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337   -1.0699    1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0845   -2.3553    1.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4433    0.6989   -1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.6089   -1.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.8849   -2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9852    3.7801   -2.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5631    4.8072   -3.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532    4.6479   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902    6.1726   -2.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    2.6244   -1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    1.2041   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558   -1.4707   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4866   -1.0401   -2.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6178   -2.9587   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1254   -2.0413   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3987   -2.5273   -1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5014    1.1610   -1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4417   -0.7861   -1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7153   -0.3063    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0371    2.2637    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5154    0.1594    1.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6694    2.1266   -0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3149   -2.2345    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.8620    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086   -0.4703    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -3.0425    4.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.3562    3.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -2.5553    3.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508   -1.7421    5.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0796   -0.7224    2.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842    0.9394    3.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9574   -0.3587    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015   -2.5771    0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672   -0.2882   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4106    1.3114   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7111    4.7160   -3.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 10 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  5 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41  3  1  0
 28  6  2  0
 37 30  1  0
 25  8  1  0
 20 12  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  4 46  1  0
  9 47  1  0
 12 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 24 60  1  0
 30 61  1  0
 32 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 42 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Isorhamnetin 3-alpha-L-arabinopyranoside-7-rhamnoside	HMDB

Chemical Formula

C₂₇H₃₀O₁₅

Average Molecular Weight

594.5181

Monoisotopic Molecular Weight

594.15847029

IUPAC Name

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one

Traditional Name

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one

CAS Registry Number

69760-70-9

SMILES

COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1

InChI Identifier

InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3

InChI Key

UIXIEXAWTSBGCB-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-3-o-glycoside
Flavonoid-7-o-glycoside
3p-methoxyflavonoid-skeleton
4'-hydroxyflavonoid
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
Phenolic glycoside
Chromone
Glycosyl compound
O-glycosyl compound
1-benzopyran
Methoxyphenol
Benzopyran
Methoxybenzene
Phenol ether
Anisole
Phenoxy compound
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Pyranone
Pyran
Monosaccharide
Benzenoid
Oxane
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Organic oxygen compound
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037747)
Cytoplasm (HMDB: HMDB0037747)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037747)

Source

Exogenous

Exogenous (HMDB: HMDB0037747)

Food

Food (HMDB: HMDB0037747)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0037747)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037747)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	211 °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	1.94 g/L	ALOGPS
logP	0.17	ALOGPS
logP	-0.59	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	8.22	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	234.29 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	138.4 m³·mol⁻¹	ChemAxon
Polarizability	57.76 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	233.466	31661259
DarkChem	[M-H]-	228.091	31661259
DeepCCS	[M+H]+	222.123	30932474
DeepCCS	[M-H]-	219.728	30932474
DeepCCS	[M-2H]-	252.819	30932474
DeepCCS	[M+Na]+	228.024	30932474
AllCCS	[M+H]+	231.1	32859911
AllCCS	[M+H-H2O]+	229.7	32859911
AllCCS	[M+NH4]+	232.3	32859911
AllCCS	[M+Na]+	232.6	32859911
AllCCS	[M-H]-	226.7	32859911
AllCCS	[M+Na-2H]-	228.8	32859911
AllCCS	[M+HCOO]-	231.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside	COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1	5377.3	Standard polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside	COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1	4985.6	Standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside	COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1	5407.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #1	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5225.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #2	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5245.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #3	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5213.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #4	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5236.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #5	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5226.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #6	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5226.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #7	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5212.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,isomer #8	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5224.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #1	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5092.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #10	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5077.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #11	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5085.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #12	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5090.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #13	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5105.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #14	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5030.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #15	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5000.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #16	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5031.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #17	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5042.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #18	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5083.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #19	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5066.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #2	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5061.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #20	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5040.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #21	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5078.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #22	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5070.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #23	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5068.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #24	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5033.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #25	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5061.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #26	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5074.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #27	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5069.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #28	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5078.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #3	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5099.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #4	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5086.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #5	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5107.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #6	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5060.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #7	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5104.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #8	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5075.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TMS,isomer #9	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5044.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #1	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4939.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #10	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4846.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #11	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4915.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #12	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4920.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #13	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4970.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #14	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4911.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #15	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4972.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #16	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4935.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #17	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4863.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #18	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4927.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #19	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4951.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #2	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4951.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #20	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4967.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #21	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4941.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #22	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4907.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #23	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4917.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #24	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4893.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #25	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4904.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #26	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4940.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #27	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4918.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #28	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4844.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #29	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4859.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #3	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4924.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #30	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4899.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #31	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4887.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #32	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4914.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #33	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4949.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #34	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4890.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #35	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4910.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #36	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4990.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #37	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4861.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #38	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4871.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #39	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4855.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #4	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4958.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #40	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4905.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #41	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4873.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #42	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4807.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #43	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4864.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #44	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4825.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #45	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4909.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #46	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4879.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #47	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4914.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #48	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4921.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #49	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4893.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #5	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4906.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #50	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4923.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #51	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4831.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #52	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4889.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #53	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4876.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #54	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4878.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #55	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4880.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #56	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4924.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #6	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4960.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #7	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4954.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #8	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4853.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,3TMS,isomer #9	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4909.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #1	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4855.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #10	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4783.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #11	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4723.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #12	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4797.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #13	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4818.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #14	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4850.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #15	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4834.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #16	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4769.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #17	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4827.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #18	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4757.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #19	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4841.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #2	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4756.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #20	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4706.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #21	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4673.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #22	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4709.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #23	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4736.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #24	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4771.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #25	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4755.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #26	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4783.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #27	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4705.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #28	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4798.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #29	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4825.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #3	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4819.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #30	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4855.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #31	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4837.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #32	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4761.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #33	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4787.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #34	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4772.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #35	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4877.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #36	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4818.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #37	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4713.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #38	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4742.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #39	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4782.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #4	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4745.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #40	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4729.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #41	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4763.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #42	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4803.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #43	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4720.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #44	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4742.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #45	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4832.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #46	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4721.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #47	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4745.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #48	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4786.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #49	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4662.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #5	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4837.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #50	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4681.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #51	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4757.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #52	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4701.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #53	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4732.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #54	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4835.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #55	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4783.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #56	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4756.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #57	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4670.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #58	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4767.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #59	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4684.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #6	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4780.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #60	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4785.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #61	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4736.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #62	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4675.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #63	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4771.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #64	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4674.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #65	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4721.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #66	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4837.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #67	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4726.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #68	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4744.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #69	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4730.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #7	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4842.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #70	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4772.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #8	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4768.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,4TMS,isomer #9	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4850.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #1	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5429.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #2	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5493.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #3	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5469.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #4	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5480.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #5	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5426.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #6	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5471.7	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #7	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5460.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TBDMS,isomer #8	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5464.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #1	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5495.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #10	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5479.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #11	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5506.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #12	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5504.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #13	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5514.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #14	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5463.3	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #15	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5431.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #16	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5438.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #17	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5478.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #18	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5487.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #19	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5466.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #2	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5467.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #20	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5438.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #21	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5447.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #22	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5473.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #23	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5490.6	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #24	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5471.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #25	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5462.1	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #26	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5486.2	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #27	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5479.8	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #28	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5476.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #3	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5478.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #4	COC1=CC(C2=C(OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5492.4	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #5	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5514.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #6	COC1=CC(C2=C(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5477.5	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #7	COC1=CC(C2=C(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5487.9	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #8	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5495.0	Semi standard non polar	33892256
Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,2TBDMS,isomer #9	COC1=CC(C2=C(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5467.6	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 - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-057i-5200190000-912c18660e0475a71adc	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (1 TMS) - 70eV, Positive	splash10-0a4j-6200039000-da0744ac5963dbd4537b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS ("Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	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 - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 10V, Positive-QTOF	splash10-0002-0001940000-943a851d4061e37504e2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 20V, Positive-QTOF	splash10-014i-0209700000-89795f72048224f9eb59	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 40V, Positive-QTOF	splash10-014i-1319100000-7f2310b2e0e7bb1ae6e5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 10V, Negative-QTOF	splash10-002g-2201980000-ea99f5757bc69cf59593	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 20V, Negative-QTOF	splash10-0032-1202920000-fffbd2b61de169e8d209	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 40V, Negative-QTOF	splash10-0903-6229100000-fcedb0eff784f004bb39	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 10V, Positive-QTOF	splash10-0002-0000090000-54e89fd530db4e77b6eb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 20V, Positive-QTOF	splash10-0002-0000090000-f1db319bcf2541c6fa8b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 40V, Positive-QTOF	splash10-0002-2090150000-0b63c5f0bf90016421c9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 10V, Negative-QTOF	splash10-0006-0000090000-92340929c4a0bc9ce79e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 20V, Negative-QTOF	splash10-0006-0030090000-efc14a542877da966bbf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside 40V, Negative-QTOF	splash10-02nd-2591050000-0ed845b84724130150d2	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

FDB016881

KNApSAcK ID

C00005551

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74978267

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside (HMDB0037747)

MOL for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

3D MOL for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

3D SDF for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

3D-SDF for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

PDB for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

3D PDB for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

SMILES for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

INCHI for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

Structure for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

3D Structure for HMDB0037747 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra