LMPK12020112
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   11.6965    8.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6965   10.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7890   10.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8816   10.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8816    8.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7890    8.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    8.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5115    8.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5115   10.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041   10.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4191   10.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2732   10.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1274   10.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1274   11.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2732   12.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4191   11.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9740   10.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5170    8.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7890    7.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9383   11.9993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8459   11.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9463   10.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275    5.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    4.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226    6.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0838    7.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5169    7.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8487    7.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6680    6.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7223    5.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9629    6.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1436    7.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3841    8.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
  1  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  2  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
  4 17  1  0  0  0  0
  8 18  1  1  0  0  0
 14 20  1  0  0  0  0
  6 19  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 19  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12020112

> <COMMON_NAME>
Catechin 5-O-beta-D-glucopyranoside-4'-Me

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H26O11

> <MASS>
466.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GPVCBKWGXPUYOQ-GNWPIFJVSA-N

> <INCHI>
InChI=1S/C22H26O11/c1-30-14-3-2-9(4-12(14)25)21-13(26)7-11-15(31-21)5-10(24)6-16(11)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,13,17-29H,7-8H2,1H3/t13-,17+,18+,19-,20+,21+,22+/m0/s1

> <SMILES>
C12C[C@H](O)[C@@H](C3C=CC(OC)=C(O)C=3)OC=1C=C(O)C=C2O[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>
162899125

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$