LMPK12070159
  LIPID_MAPS_STRUCTURE_DATABASE

 21 25  0  0  0  0  0  0  0  0999 V2000
    6.9667    8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    8.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805    7.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    8.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805    9.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    7.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2221    8.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2221    8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    9.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0357    7.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0357    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9057    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7759    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7759    7.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9057    8.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4107    6.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7316    6.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3221    7.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7316    7.8784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  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  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
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070159

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene

> <FORMULA>
C16H10O5

> <MASS>
282.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCDMHEXDCIXKLK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,17H,6-7H2

> <SMILES>
C1(O)=CC2OCC3C4C=C5OCOC5=CC=4OC=3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196271

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14730797

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 58847

> <CITATION>
26547577

$$$$