LMPK12020202
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.9267    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    9.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548   10.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    8.5606    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
 10  5  1  0  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
 14 17  1  0  0  0  0
  8  9  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
 13 22  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020202

> <COMMON_NAME>
Leucocyanidin

> <SYSTEMATIC_NAME>
3,4,5,7,3',4'-Hexahydroxyflavan

> <FORMULA>
C15H14O7

> <MASS>
306.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Catechin-4beta-ol; - (3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

> <INCHI_KEY>
SBZWTSHAFILOTE-UHFFFAOYSA-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

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=C(O)C=3)C(O)C(O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
15758

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71629

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3724

> <CITATION>
24241054

$$$$