LMPK12020227
  LIPID_MAPS_STRUCTURE_DATABASE

 18 20  0     0  0            999 V2000
    7.5836    7.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836    6.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    6.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    7.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9891    6.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9891    7.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    8.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8401    8.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7152    7.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5903    8.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5903    9.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7152    9.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8401    9.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9891    8.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.0264    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
  9 11  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
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020227

> <COMMON_NAME>
7-Hydroxyflavan

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H14O2

> <MASS>
226.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KFUMHIDDQQILEL-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C15H14O2/c16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11/h1-6,8,10,14,16H,7,9H2/t14-/m0/s1

> <SMILES>
C1(O)C=C2O[C@]([H])(C3C=CC=CC=3)CCC2=CC=1

> <KEGG_ID>
C09757

> <HMDB_ID>
-

> <CHEBI_ID>
2267

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442413

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 39639

> <CITATION>
-

$$$$