LMPK12020055
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.1115   10.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1115    9.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050    9.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8987    9.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8987   10.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050   11.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7925    9.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6862    9.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6862   10.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7925   11.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5797   11.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4809   10.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3819   11.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3819   12.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4809   12.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5797   12.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1091   12.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050    8.1668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960   11.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5797    9.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4809   13.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0009    6.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    6.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0413    8.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5228    9.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685    9.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    8.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5132    7.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    7.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0311    8.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5331    9.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    9.9034    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 18  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>
LMPK12020055

> <COMMON_NAME>
Catechin 5-O-beta-D-glucopyranoside

> <SYSTEMATIC_NAME>
(2R,3S)-5-(beta-D-Glucopyranosyloxy)-3,4-dihydro-2-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3,7-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>
ZESJTWVSXGZYTD-FBEISHDNSA-N

> <INCHI>
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6324898

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3621

> <CITATION>
-

$$$$