LMPK12020203
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.1637    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1637    6.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8737    6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    6.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8737    7.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2937    6.0670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0037    6.4769    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0037    7.2967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2937    7.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7134    7.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4370    7.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1606    7.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1606    8.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4370    8.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7134    8.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8737    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2937    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4370    9.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8840    8.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7134    6.0671    0.0000 O   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
  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
  3 17  1  0  0  0  0
  7 18  1  1  0  0  0
 19  1  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
  8 22  1  1  0  0  0
M  END
> <LM_ID>
LMPK12020203

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Catechin-4beta-ol

> <FORMULA>
C15H14O7

> <MASS>
306.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SBZWTSHAFILOTE-SOUVJXGZSA-N

> <INCHI>
InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1

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

> <KEGG_ID>
C05906

> <HMDB_ID>
-

> <CHEBI_ID>
11412

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440833

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$