LMPK12070139
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0  0  0  0  0  0  0  0999 V2000
    5.7020    7.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020    6.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    6.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152    6.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152    7.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    7.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718    6.2158    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3284    6.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3284    7.3530    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6718    7.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847    6.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847    5.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6867    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3887    5.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3887    6.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6867    6.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6739    5.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1597    5.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6361    5.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1597    6.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0304    7.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8736    7.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 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
  9 21  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070139

> <COMMON_NAME>
6-Methoxypterocarpin

> <SYSTEMATIC_NAME>
(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DBTYNEYODANUIL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-19-9-3-4-10-12(5-9)24-18(20-2)16-11-6-14-15(22-8-21-14)7-13(11)23-17(10)16/h3-7,16-18H,8H2,1-2H3

> <SMILES>
C1(OC)=CC2OC(OC)C3C4C=C5OCOC5=CC=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257493

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$