LMPK12070031
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    9.0111   -5.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0111   -6.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006   -6.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5899   -6.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5899   -5.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006   -4.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3793   -6.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1688   -6.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1688   -5.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3793   -4.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9579   -6.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9579   -7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8020   -8.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6459   -7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6459   -6.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8020   -6.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3793   -7.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4354   -8.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2215   -4.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555   -5.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3014   -7.5276    0.0000 C   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
 12 17  1  0  0  0  0
  1 19  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0     0  0
 18 21  1  0     0  0
M  END
> <LM_ID>
LMPK12070031

> <COMMON_NAME>
(-)-Homopterocarpin

> <SYSTEMATIC_NAME>
3,9-Dimethoxypterocarpan

> <FORMULA>
C17H16O4

> <MASS>
284.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Baphinitone

> <INCHI_KEY>
VPGIGLKLCFOWDN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
454892

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071200

> <CITATION>
24764982

$$$$