LMPK12020232
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.5823    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5823    6.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327    6.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2830    6.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2830    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327    8.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0705    6.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9837    6.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9837    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1334    8.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8334    8.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7075    7.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5813    8.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5813    9.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7075    9.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8334    9.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9837    9.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4535    9.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3040    9.3786    0.0000 C   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
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020232

> <COMMON_NAME>
Broussin

> <SYSTEMATIC_NAME>
7-Hydroxy-4'-methoxyflavan

> <FORMULA>
C16H16O3

> <MASS>
256.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JTPMXGZHRQYFTB-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C16H16O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1

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

> <KEGG_ID>
C09505

> <HMDB_ID>
-

> <CHEBI_ID>
3185

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 172644

> <CITATION>
-

$$$$