LMPK12070151
  LIPID_MAPS_STRUCTURE_DATABASE

 22 26  0  0  0  0  0  0  0  0999 V2000
    8.8973   -6.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8973   -6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6981   -7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4990   -6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4990   -6.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6981   -5.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2997   -7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1006   -6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1006   -6.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2997   -5.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010   -7.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010   -8.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7573   -8.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6135   -8.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6135   -7.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7573   -6.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2997   -8.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5539   -8.7421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1350   -7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5539   -7.1425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415   -5.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755   -6.0669    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  2  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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0     0  0
M  END
> <LM_ID>
LMPK12070151

> <COMMON_NAME>
Anhydropisatin

> <SYSTEMATIC_NAME>
6a,11a-Dehydropterocarpin

> <FORMULA>
C17H12O5

> <MASS>
296.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Flemichapparin B

> <INCHI_KEY>
XWTCRKNSJARUIU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6H,7-8H2,1H3

> <SMILES>
C1(OC)C=CC2C3OC4=CC5OCOC=5C=C4C=3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11822566

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2595076

> <CITATION>
-

$$$$