LMPK12020041
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.1202    9.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1202    8.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9946    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8692    8.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8692    9.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9946    9.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6181    8.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6181    9.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    9.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9946    6.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2457    9.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4995    9.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3305    9.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1619    9.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1619   10.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3305   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4995   10.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9929   11.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4923    7.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3305   12.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873    6.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3538    5.2739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536    8.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627    7.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    7.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    6.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    6.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    7.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256    8.2760    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
  3 11  1  0  0  0  0
  1 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
  8 20  1  1  0  0  0
 17 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
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  2  1  1     0  0
M  END
> <LM_ID>
LMPK12020041

> <COMMON_NAME>
6-C-Glucopyranosylcatechin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H24O11

> <MASS>
452.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PWMSPKVTJLJDDS-CPKJHJHWSA-N

> <INCHI>
InChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2/t12-,14+,17+,18-,19+,20+,21-/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21626712

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$