LMPK12070029
  LIPID_MAPS_STRUCTURE_DATABASE

 19 22  0  0  0  0  0  0  0  0999 V2000
    5.6754    7.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6754    6.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261    6.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261    7.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507    7.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7014    6.2506    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3768    6.6405    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3768    7.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7014    7.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519    6.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519    5.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7740    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961    5.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961    6.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7740    6.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    5.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2175    5.0004    0.0000 O   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 12  1  0  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070029

> <COMMON_NAME>
Demethylmedicarpin

> <SYSTEMATIC_NAME>
3,9-Dihydroxypterocarpan

> <FORMULA>
C15H12O4

> <MASS>
256.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ODMIEGVTNZNSLD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2

> <SMILES>
C1(O)C=CC2C3OC4=CC(O)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0138504

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3347979

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$