LMPK12020040
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.6231    8.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231    7.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    7.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3173    7.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3173    8.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1643    7.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0113    7.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0113    8.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1643    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7763    9.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    6.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9524    9.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8450    8.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7378    9.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7378   10.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8450   10.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9524   10.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300   10.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8450   11.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8275    7.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7037   10.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7038   12.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4458   13.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3208   10.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101   13.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470   10.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5748   10.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5762   11.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4471   12.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   11.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1903   12.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  6  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 21  1  6  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  6  1  1     0  0
M  END
> <LM_ID>
LMPK12020040

> <COMMON_NAME>
8-C-Glucopyranosylepicatechin

> <SYSTEMATIC_NAME>
(2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 8-C-glucopyranoside

> <FORMULA>
C21H24O11

> <MASS>
452.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XWDHVYPMZCGHNM-SBNMIOBJSA-N

> <INCHI>
InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17+,18-,19-,21+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21626717

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119260

> <CITATION>
-

$$$$