LMPK12070141
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0            999 V2000
    9.2202   -5.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2202   -6.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0507   -6.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8814   -6.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8814   -5.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0507   -4.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7121   -6.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5427   -6.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5427   -5.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7121   -4.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3730   -6.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3730   -7.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2613   -8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1495   -7.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1495   -6.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2613   -6.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7146   -7.9362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2179   -4.8939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1247   -8.2536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7275   -7.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1247   -6.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2607   -5.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1466   -6.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3730   -4.9932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305   -7.2931    0.0000 H   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
 14 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 15  1  0     0  0
  8 23  1  6     0  0
 24 22  1  0     0  0
  9 24  1  1     0  0
  7 25  1  6     0  0
M  END
> <LM_ID>
LMPK12070141

> <COMMON_NAME>
Sophoracarpan B

> <SYSTEMATIC_NAME>
(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Methoxymaackiain

> <INCHI_KEY>
BARRXUGKUYTIQH-YESZJQIVSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-19-17-15-10-5-13-14(21-7-20-13)6-12(10)22-16(15)9-3-2-8(18)4-11(9)23-17/h2-6,15-18H,7H2,1H3/t15-,16-,17+/m0/s1

> <SMILES>
C1(O)=CC2O[C@@H](OC)[C@@]3([H])C4C=C5OCOC5=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21672564

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 256637

> <CITATION>
-

$$$$