LMPK12020051
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.5053    8.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5053    7.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    7.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2493    7.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2493    8.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    7.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9932    7.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9932    8.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    9.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8651    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443    8.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6235    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6235   10.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443   10.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8651   10.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4650   10.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6333    9.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8651    7.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443   11.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    6.2668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7132    6.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0418    4.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5241    3.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    5.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0116    3.1479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0303    6.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9543    5.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1178    4.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3589    4.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4349    4.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6760    4.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  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 11  1  0  0  0  0
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  6  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  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
 27 19  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12020051

> <COMMON_NAME>
Epicatechin 3-O-beta-D-glucopyranoside

> <SYSTEMATIC_NAME>
(2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 3-O-beta-D-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>
YOVYWMDLYSJYPO-UGUVDVTISA-N

> <INCHI>
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2/t15-,16-,17-,18+,19-,20-,21-/m1/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21626710

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119260

> <CITATION>
-

$$$$