LMPK12020246
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.5923    7.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5923    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3124    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3124    7.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    8.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1725    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    7.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1725    8.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    8.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7689    7.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453    8.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453    9.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7689    9.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    9.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7689   10.8769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5217    9.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3817    9.3682    0.0000 C   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
  1 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020246

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,3'-Dihydroxy-4'-methoxyflavan

> <FORMULA>
C16H16O4

> <MASS>
272.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KGTOSQKIOMIICT-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3/t14-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1142948

> <CITATION>
-

$$$$