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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:30:39 UTC

Update Date

2022-03-07 02:52:10 UTC

HMDB ID

HMDB0029479

Secondary Accession Numbers

HMDB29479

Metabolite Identification

Common Name

Isorhamnetin 7-glucoside

Description

Isorhamnetin 7-glucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Isorhamnetin 7-glucoside is found, on average, in the highest concentration within sea-buckthornberries (Hippophae rhamnoides). Isorhamnetin 7-glucoside has also been detected, but not quantified in, brassicas and german camomiles (Matricaria recutita). This could make isorhamnetin 7-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Isorhamnetin 7-glucoside.

Structure

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

  Mrv0541 02241219052D          

 34 37  0  0  0  0            999 V2000
    0.3499   -0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210    0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0193    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0783   -0.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0783   -0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073    0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    1.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5052   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604   -0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6332   -0.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9336   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064   -0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -0.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -1.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9624   -1.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6911   -1.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050   -0.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   -0.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3604   -0.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910    0.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2613    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

HMDB0029479
     RDKit          3D
Isorhamnetin 7-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    4.2008    2.7469   -2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    2.0207   -1.8384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4395    0.7821   -1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241    0.1547   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934   -1.1012   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403   -1.6642    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320   -0.9640    0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410   -1.2975    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -0.4825    0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428   -0.8428    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685   -0.0821    0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    1.1687   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706    2.0774    0.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5018    2.0151    1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9798    0.6756    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2991    0.3183    2.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2850    2.5313   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2496    3.9438   -0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7539    2.0664   -1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8356    1.5054   -2.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    1.0499   -1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975    1.1888   -2.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6979   -2.0765    1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013   -2.8667    1.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447   -4.1034    2.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776   -2.5073    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -3.2977    1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -4.4035    1.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452   -2.8733    0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379   -3.6918    1.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5988   -1.7109    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7379   -1.0668   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6650    0.1593   -1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8072    0.8118   -1.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    3.2594   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871    2.0790   -2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    3.5331   -2.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534    0.6728   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    0.4467   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    1.4813   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840    2.7355    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9763   -0.1126    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0576    0.8153    1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8163   -0.4033    3.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3548    2.2680    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3489    4.2836   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4462    2.9547   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9862    0.6098   -1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1171    0.0185   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    0.5101   -2.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786   -2.4058    1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -4.4249    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070   -4.5672    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087   -2.6755    0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6833   -1.5792   -0.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6799    0.3167   -1.4792 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
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
  5 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 29  6  2  0
 26  8  1  0
 21 12  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  9 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 18 46  1  0
 19 47  1  0
 20 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 25 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  1  0
M  END

  Mrv0541 02241219052D          

 34 37  0  0  0  0            999 V2000
    0.3499   -0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210    0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0193    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0783   -0.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0783   -0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073    0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    1.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5052   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604   -0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6332   -0.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9336   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064   -0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -0.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -1.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9624   -1.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6911   -1.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050   -0.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   -0.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3604   -0.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910    0.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2613    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029479

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3

> <INCHI_KEY>
YCUNOXSUHVGZRI-UHFFFAOYSA-N

> <FORMULA>
C22H22O12

> <MOLECULAR_WEIGHT>
478.4029

> <EXACT_MASS>
478.111126168

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
46.0076372602464

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
0.03412542666666665

> <ALOGPS_LOGS>
-2.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.78476891912128

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.078983637953176

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343758667

> <JCHEM_POLAR_SURFACE_AREA>
195.6

> <JCHEM_REFRACTIVITY>
113.48889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029479
     RDKit          3D
Isorhamnetin 7-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    4.2008    2.7469   -2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    2.0207   -1.8384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4395    0.7821   -1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241    0.1547   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934   -1.1012   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403   -1.6642    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320   -0.9640    0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410   -1.2975    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -0.4825    0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428   -0.8428    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685   -0.0821    0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    1.1687   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706    2.0774    0.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5018    2.0151    1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9798    0.6756    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2991    0.3183    2.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2850    2.5313   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2496    3.9438   -0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7539    2.0664   -1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8356    1.5054   -2.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    1.0499   -1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975    1.1888   -2.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6979   -2.0765    1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013   -2.8667    1.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447   -4.1034    2.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776   -2.5073    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -3.2977    1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -4.4035    1.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452   -2.8733    0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379   -3.6918    1.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5988   -1.7109    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7379   -1.0668   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6650    0.1593   -1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8072    0.8118   -1.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    3.2594   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871    2.0790   -2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    3.5331   -2.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534    0.6728   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    0.4467   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    1.4813   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840    2.7355    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9763   -0.1126    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0576    0.8153    1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8163   -0.4033    3.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3548    2.2680    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3489    4.2836   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4462    2.9547   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9862    0.6098   -1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1171    0.0185   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    0.5101   -2.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786   -2.4058    1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -4.4249    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070   -4.5672    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087   -2.6755    0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6833   -1.5792   -0.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6799    0.3167   -1.4792 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
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
  5 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 29  6  2  0
 26  8  1  0
 21 12  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  9 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 18 46  1  0
 19 47  1  0
 20 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 25 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.653  -1.318   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.653  -0.502   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.599   1.038   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.903   1.854   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.851   3.391   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -4.571   1.946   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -3.265   1.131   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.316  -0.409   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.013  -1.225   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       3.319  -1.410   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.013  -0.594   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.067   0.943   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.761   1.759   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.812   3.299   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.676  -0.689   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.730   0.851   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.424   1.667   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -10.006  -0.943   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -8.649  -0.222   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -7.343  -1.038   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.985  -0.314   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.679  -1.130   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.730  -2.670   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.090  -3.391   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.397  -2.575   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -8.757  -3.299   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       5.983  -1.502   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.343  -0.779   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.646  -1.595   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.006  -0.874   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       8.756   1.482   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       7.394   0.758   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.088   1.572   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.144   3.111   0.000  0.00  0.00           O+0
CONECT    1    2   11                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4   13                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4                                                            
CONECT    6    7                                                            
CONECT    7    4    6    8                                                  
CONECT    8    7    9   22                                                  
CONECT    9    2    8                                                       
CONECT   10   11   15                                                       
CONECT   11    1   10   12                                                  
CONECT   12   11   13                                                       
CONECT   13    3   12   14                                                  
CONECT   14   13                                                            
CONECT   15   10   16   27                                                  
CONECT   16   15   17   33                                                  
CONECT   17   16                                                            
CONECT   18   19                                                            
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22    8   21   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   20   24   26                                                  
CONECT   26   25                                                            
CONECT   27   15   28                                                       
CONECT   28   27   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   32                                                            
CONECT   32   28   31   33                                                  
CONECT   33   16   32   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

COMPND    HMDB0029479
HETATM    1  C1  UNL     1       4.201   2.747  -2.026  1.00  0.00           C  
HETATM    2  O1  UNL     1       5.379   2.021  -1.838  1.00  0.00           O  
HETATM    3  C2  UNL     1       5.439   0.782  -1.222  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.324   0.155  -0.736  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.393  -1.101  -0.112  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.140  -1.664   0.362  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.032  -0.964   0.175  1.00  0.00           O  
HETATM    8  C6  UNL     1       0.841  -1.297   0.523  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.270  -0.483   0.279  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.543  -0.843   0.653  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.668  -0.082   0.438  1.00  0.00           O  
HETATM   12  C9  UNL     1      -2.752   1.169  -0.180  1.00  0.00           C  
HETATM   13  O4  UNL     1      -3.171   2.077   0.772  1.00  0.00           O  
HETATM   14  C10 UNL     1      -4.502   2.015   1.076  1.00  0.00           C  
HETATM   15  C11 UNL     1      -4.980   0.676   1.549  1.00  0.00           C  
HETATM   16  O5  UNL     1      -4.299   0.318   2.691  1.00  0.00           O  
HETATM   17  C12 UNL     1      -5.285   2.531  -0.108  1.00  0.00           C  
HETATM   18  O6  UNL     1      -5.250   3.944  -0.037  1.00  0.00           O  
HETATM   19  C13 UNL     1      -4.754   2.066  -1.412  1.00  0.00           C  
HETATM   20  O7  UNL     1      -5.836   1.505  -2.132  1.00  0.00           O  
HETATM   21  C14 UNL     1      -3.679   1.050  -1.354  1.00  0.00           C  
HETATM   22  O8  UNL     1      -2.897   1.189  -2.516  1.00  0.00           O  
HETATM   23  C15 UNL     1      -1.698  -2.076   1.300  1.00  0.00           C  
HETATM   24  C16 UNL     1      -0.601  -2.867   1.535  1.00  0.00           C  
HETATM   25  O9  UNL     1      -0.745  -4.103   2.182  1.00  0.00           O  
HETATM   26  C17 UNL     1       0.678  -2.507   1.160  1.00  0.00           C  
HETATM   27  C18 UNL     1       1.772  -3.298   1.395  1.00  0.00           C  
HETATM   28  O10 UNL     1       1.652  -4.404   1.972  1.00  0.00           O  
HETATM   29  C19 UNL     1       3.045  -2.873   0.988  1.00  0.00           C  
HETATM   30  O11 UNL     1       4.138  -3.692   1.237  1.00  0.00           O  
HETATM   31  C20 UNL     1       5.599  -1.711   0.013  1.00  0.00           C  
HETATM   32  C21 UNL     1       6.738  -1.067  -0.485  1.00  0.00           C  
HETATM   33  C22 UNL     1       6.665   0.159  -1.094  1.00  0.00           C  
HETATM   34  O12 UNL     1       7.807   0.812  -1.597  1.00  0.00           O  
HETATM   35  H1  UNL     1       3.873   3.259  -1.078  1.00  0.00           H  
HETATM   36  H2  UNL     1       3.387   2.079  -2.350  1.00  0.00           H  
HETATM   37  H3  UNL     1       4.404   3.533  -2.789  1.00  0.00           H  
HETATM   38  H4  UNL     1       3.353   0.673  -0.850  1.00  0.00           H  
HETATM   39  H5  UNL     1      -0.067   0.447  -0.222  1.00  0.00           H  
HETATM   40  H6  UNL     1      -1.738   1.481  -0.486  1.00  0.00           H  
HETATM   41  H7  UNL     1      -4.684   2.735   1.914  1.00  0.00           H  
HETATM   42  H8  UNL     1      -4.976  -0.113   0.802  1.00  0.00           H  
HETATM   43  H9  UNL     1      -6.058   0.815   1.853  1.00  0.00           H  
HETATM   44  H10 UNL     1      -4.816  -0.403   3.143  1.00  0.00           H  
HETATM   45  H11 UNL     1      -6.355   2.268   0.073  1.00  0.00           H  
HETATM   46  H12 UNL     1      -4.349   4.284  -0.238  1.00  0.00           H  
HETATM   47  H13 UNL     1      -4.446   2.955  -2.029  1.00  0.00           H  
HETATM   48  H14 UNL     1      -5.986   0.610  -1.689  1.00  0.00           H  
HETATM   49  H15 UNL     1      -4.117   0.019  -1.434  1.00  0.00           H  
HETATM   50  H16 UNL     1      -2.181   0.510  -2.488  1.00  0.00           H  
HETATM   51  H17 UNL     1      -2.679  -2.406   1.615  1.00  0.00           H  
HETATM   52  H18 UNL     1      -1.658  -4.425   2.482  1.00  0.00           H  
HETATM   53  H19 UNL     1       4.107  -4.567   1.685  1.00  0.00           H  
HETATM   54  H20 UNL     1       5.709  -2.676   0.483  1.00  0.00           H  
HETATM   55  H21 UNL     1       7.683  -1.579  -0.370  1.00  0.00           H  
HETATM   56  H22 UNL     1       8.680   0.317  -1.479  1.00  0.00           H  
CONECT    1    2   35   36   37
CONECT    2    3
CONECT    3    4    4   33
CONECT    4    5   38
CONECT    5    6   31   31
CONECT    6    7   29   29
CONECT    7    8
CONECT    8    9    9   26
CONECT    9   10   39
CONECT   10   11   23   23
CONECT   11   12
CONECT   12   13   21   40
CONECT   13   14
CONECT   14   15   17   41
CONECT   15   16   42   43
CONECT   16   44
CONECT   17   18   19   45
CONECT   18   46
CONECT   19   20   21   47
CONECT   20   48
CONECT   21   22   49
CONECT   22   50
CONECT   23   24   51
CONECT   24   25   26   26
CONECT   25   52
CONECT   26   27
CONECT   27   28   28   29
CONECT   29   30
CONECT   30   53
CONECT   31   32   54
CONECT   32   33   33   55
CONECT   33   34
CONECT   34   56
END

HMDB0029479
     RDKit          3D
Isorhamnetin 7-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    4.2008    2.7469   -2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    2.0207   -1.8384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4395    0.7821   -1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241    0.1547   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934   -1.1012   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403   -1.6642    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0320   -0.9640    0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410   -1.2975    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -0.4825    0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428   -0.8428    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685   -0.0821    0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    1.1687   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706    2.0774    0.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5018    2.0151    1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9798    0.6756    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2991    0.3183    2.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2850    2.5313   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2496    3.9438   -0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7539    2.0664   -1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8356    1.5054   -2.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    1.0499   -1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975    1.1888   -2.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6979   -2.0765    1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013   -2.8667    1.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447   -4.1034    2.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776   -2.5073    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -3.2977    1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -4.4035    1.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452   -2.8733    0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379   -3.6918    1.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5988   -1.7109    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7379   -1.0668   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6650    0.1593   -1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8072    0.8118   -1.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    3.2594   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871    2.0790   -2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    3.5331   -2.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534    0.6728   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    0.4467   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    1.4813   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840    2.7355    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9763   -0.1126    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0576    0.8153    1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8163   -0.4033    3.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3548    2.2680    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3489    4.2836   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4462    2.9547   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9862    0.6098   -1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1171    0.0185   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    0.5101   -2.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786   -2.4058    1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -4.4249    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070   -4.5672    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087   -2.6755    0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6833   -1.5792   -0.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6799    0.3167   -1.4792 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
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
  5 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 29  6  2  0
 26  8  1  0
 21 12  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  9 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 18 46  1  0
 19 47  1  0
 20 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 25 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Brassicin	HMDB
Vinylchloride-D3	HMDB

Chemical Formula

C₂₂H₂₂O₁₂

Average Molecular Weight

478.4029

Monoisotopic Molecular Weight

478.111126168

IUPAC Name

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

CAS Registry Number

6743-96-0

SMILES

COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1

InChI Identifier

InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3

InChI Key

YCUNOXSUHVGZRI-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029479)
Cytoplasm (HMDB: HMDB0029479)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029479)

Source

Endogenous

Endogenous (HMDB: HMDB0029479)

Plant

Plant (HMDB: HMDB0029479)

Exogenous

Food

Food (HMDB: HMDB0029479)

Fruit

Berry

Sea-buckthornberry (FooDB: FOOD00087)

Herb and spice

Herb

German camomile (FooDB: FOOD00107)

Vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Exogenous (HMDB: HMDB0029479)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	253 - 255 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	5833 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.07 g/L	ALOGPS
logP	0.49	ALOGPS
logP	0.034	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	8.08	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	195.6 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	113.49 m³·mol⁻¹	ChemAxon
Polarizability	46.01 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	210.173	31661259
DarkChem	[M-H]-	207.622	31661259
DeepCCS	[M+H]+	205.353	30932474
DeepCCS	[M-H]-	202.958	30932474
DeepCCS	[M-2H]-	235.841	30932474
DeepCCS	[M+Na]+	211.266	30932474
AllCCS	[M+H]+	209.1	32859911
AllCCS	[M+H-H2O]+	206.9	32859911
AllCCS	[M+NH4]+	211.1	32859911
AllCCS	[M+Na]+	211.7	32859911
AllCCS	[M-H]-	206.0	32859911
AllCCS	[M+Na-2H]-	206.7	32859911
AllCCS	[M+HCOO]-	207.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Isorhamnetin 7-glucoside	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	5620.1	Standard polar	33892256
Isorhamnetin 7-glucoside	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	4402.5	Standard non polar	33892256
Isorhamnetin 7-glucoside	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	4547.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Isorhamnetin 7-glucoside,1TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4506.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TMS,isomer #2	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4444.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4490.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4503.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4484.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4486.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4495.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4339.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4263.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #11	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4287.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #12	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4325.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4305.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4302.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #15	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4300.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4324.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4330.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #18	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4345.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #19	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4316.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4330.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #20	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4310.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4335.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4318.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4344.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4333.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #6	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4298.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #7	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4273.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #8	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4252.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4236.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4211.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #10	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4228.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #11	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4155.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #12	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4112.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4166.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #14	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4169.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4153.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #16	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4131.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #17	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4096.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4145.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #19	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4130.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4176.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4108.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #21	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4117.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #22	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4134.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #23	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4126.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #24	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4123.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4112.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #26	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4162.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #27	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4161.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #28	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4161.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #29	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4134.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4229.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #30	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4140.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #31	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4162.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #32	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4197.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #33	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4228.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #34	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4212.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #35	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4223.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4167.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #5	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4158.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4196.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4205.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4172.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4155.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4119.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4040.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #11	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)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	4142.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #12	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4073.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #13	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4061.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4082.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4080.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #16	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4061.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4086.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4079.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #19	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4048.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4155.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4049.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #21	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4043.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #22	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4088.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #23	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4047.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #24	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4053.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4048.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #26	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4046.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #27	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4054.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #28	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4039.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #29	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4050.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4092.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #30	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4045.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #31	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4060.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #32	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4100.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #33	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4073.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #34	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4070.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #35	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4157.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #4	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4073.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4134.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4081.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #7	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4034.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4096.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,4TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4096.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)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	4130.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4009.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #11	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)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	4056.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #12	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)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	4053.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #13	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4004.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #14	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4022.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4011.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #16	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4045.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #17	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4005.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4025.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #19	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4009.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4045.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4002.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4055.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #3	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4035.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4077.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #5	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4069.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #6	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4006.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4056.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #8	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4046.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,5TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4011.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4743.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #2	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4722.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4746.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4755.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4783.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4790.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,1TBDMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4786.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4822.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4760.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #11	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4831.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #12	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4831.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4834.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4828.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #15	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4813.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4807.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4822.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #18	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4820.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #19	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4809.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4823.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #20	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4824.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4832.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4811.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4817.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4840.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #6	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4801.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #7	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4774.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #8	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4771.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,2TBDMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4768.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4904.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #10	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4912.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #11	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4930.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #12	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4848.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4922.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #14	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4860.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4919.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #16	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4813.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #17	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4821.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4818.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #19	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4868.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4906.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4812.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #21	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4813.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #22	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4895.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #23	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4823.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #24	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4891.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4856.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #26	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4903.5	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #27	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4921.3	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #28	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4893.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #29	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4899.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4914.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #30	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4897.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #31	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4911.7	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #32	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4882.0	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #33	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4893.6	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #34	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4889.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #35	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4878.2	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4941.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #5	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4865.4	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4896.8	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4903.1	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4951.9	Semi standard non polar	33892256
Isorhamnetin 7-glucoside,3TBDMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4864.5	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 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-08mj-9303700000-2fe1f169d490055cc907	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 7-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-0059-3231019000-1b71b4182762379e298f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isorhamnetin 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 10V, Positive-QTOF	splash10-016r-0129800000-d4bf0d6e37c415d3cd89	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 20V, Positive-QTOF	splash10-014j-0179100000-439025f1676b507dd358	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 40V, Positive-QTOF	splash10-0frb-3796000000-9fb0f620e31d7385a052	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 10V, Negative-QTOF	splash10-00or-0215900000-a05ce1b8b29a02437ea5	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 20V, Negative-QTOF	splash10-014i-2279300000-18d8ebbf336a412cd2ae	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 40V, Negative-QTOF	splash10-00kb-2293000000-295e4e6346c2ea0386e1	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 10V, Positive-QTOF	splash10-016r-0009400000-f9e020672b78a8b5d2f7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 20V, Positive-QTOF	splash10-014i-0009100000-6d263fc476cff759693e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 40V, Positive-QTOF	splash10-014i-0009000000-d4d9bcf99cd318117dc6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 10V, Negative-QTOF	splash10-004i-0000900000-36b7563274bb641ad9b0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 20V, Negative-QTOF	splash10-004i-0005900000-560bf2b0d639545ffeb4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isorhamnetin 7-glucoside 40V, Negative-QTOF	splash10-014i-0009100000-105186b5606fe7b1430b	2021-09-22	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

FDB000606

KNApSAcK ID

C00005530

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

12302035

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1486661

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 7-glucoside (HMDB0029479)

MOL for HMDB0029479 (Isorhamnetin 7-glucoside)

3D MOL for HMDB0029479 (Isorhamnetin 7-glucoside)

3D SDF for HMDB0029479 (Isorhamnetin 7-glucoside)

3D-SDF for HMDB0029479 (Isorhamnetin 7-glucoside)

PDB for HMDB0029479 (Isorhamnetin 7-glucoside)

3D PDB for HMDB0029479 (Isorhamnetin 7-glucoside)

SMILES for HMDB0029479 (Isorhamnetin 7-glucoside)

INCHI for HMDB0029479 (Isorhamnetin 7-glucoside)

Structure for HMDB0029479 (Isorhamnetin 7-glucoside)

3D Structure for HMDB0029479 (Isorhamnetin 7-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra