LMPK12020107
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.2598    9.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2598    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572    7.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6545    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6545    9.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572    9.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3519    7.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0492    8.2129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0492    9.0183    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3519    9.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546    9.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4599    9.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1653    9.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1653   10.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4599   10.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546   10.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4599   11.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546    7.8057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8706   10.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546    6.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0492    6.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4599    6.5840    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4599    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    7.0296    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4599    7.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    7.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572    6.9958    0.0000 O   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
  1 11  1  0  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020107

> <COMMON_NAME>
Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O9

> <MASS>
430.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL63ACNS0023

> <PUBCHEM_COMPOUND_ID>
44257109

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12020107

$$$$