LMPK12070140
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0            999 V2000
    8.4673   -5.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673   -6.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676   -6.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0679   -6.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0679   -5.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676   -4.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8682   -6.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6685   -6.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6685   -5.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8682   -4.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4685   -6.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4685   -7.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3241   -8.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1799   -7.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1799   -6.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3241   -6.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708   -7.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6670   -4.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4687   -4.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9801   -8.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2582   -5.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3755   -7.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348   -5.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8461   -7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
  1 18  1  0     0  0
  9 19  1  1     0  0
 14 20  1  0     0  0
  8 21  1  6     0  0
  7 22  1  6     0  0
 19 23  1  0     0  0
 20 24  1  0     0  0
M  END
> <LM_ID>
LMPK12070140

> <COMMON_NAME>
Sophoracarpan A

> <SYSTEMATIC_NAME>
(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VDHFFCPQILOKFG-YESZJQIVSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-10-4-6-11-14(8-10)21-16-12-5-3-9(18)7-13(12)22-17(20-2)15(11)16/h3-8,15-18H,1-2H3/t15-,16-,17+/m0/s1

> <SMILES>
C1(O)=CC2O[C@@H](OC)[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21672563

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 256637

> <CITATION>
-

$$$$