LMPK12070056
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.8670    8.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    7.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    9.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    7.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0929    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0929    8.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    9.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991    6.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7614    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6236    6.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6236    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7614    8.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    6.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4301    8.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4301    6.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6856    6.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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  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  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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070056

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FPPWIEZFMZZUPL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3

> <SMILES>
C1(O)=CC2OCC3C4C=C(O)C(OC)=CC=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033291

> <CHEBI_ID>
174726

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257449

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071200

> <CITATION>
-

$$$$