LMPK12020060
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   12.3502    8.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3502    7.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2182    7.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0861    7.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0861    8.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2182    9.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9541    7.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8219    7.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8219    8.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9541    9.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6901    9.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5651    8.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4403    9.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4403   10.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5651   10.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6901   10.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2779   10.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2182    6.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4822    9.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6901    7.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5651   11.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4681    7.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7378    6.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0268    7.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588    9.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    8.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6198    8.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6127    7.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7447    7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8894    7.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8964    8.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0409    9.3518    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  1  0  0  0
 15 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>
LMPK12020060

> <COMMON_NAME>
Catechin 7-O-beta-D-glucopyranoside

> <SYSTEMATIC_NAME>
(2R)-3,4-Dihydro-2alpha-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2H-1-benzopyran-3beta,5-diol

> <FORMULA>
C21H24O11

> <MASS>
452.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VLFIBROLAXKPQK-DPRDWZRASA-N

> <INCHI>
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10789789

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 137467

> <CITATION>
-

$$$$