LMPK12070134
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.8697    8.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8697    8.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786    7.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    8.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    8.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786    9.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966    7.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1055    8.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1055    8.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966    9.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7791    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6441    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6441    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7791    8.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3051    6.5602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    8.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7791    8.9922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4530    6.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7126    6.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
  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
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070134

> <COMMON_NAME>
6a,7-Dihydroxymedicarpin

> <SYSTEMATIC_NAME>
3,6a,7-Trihydroxy-9-methoxypterocarpan

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ABLLSLSHQGLOPV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O6/c1-20-9-5-11(18)14-13(6-9)22-15-10-3-2-8(17)4-12(10)21-7-16(14,15)19/h2-6,15,17-19H,7H2,1H3

> <SMILES>
C1(O)C=CC2C3OC4=CC(OC)=CC(O)=C4C3(O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257488

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47082

> <CITATION>
-

$$$$