LMPK12070139
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0            999 V2000
    8.9173   -6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9173   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7131   -7.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5090   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5090   -6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7131   -5.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3049   -7.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008   -6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3049   -5.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8963   -7.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8963   -8.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7472   -8.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5982   -8.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5982   -7.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7472   -6.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3075   -8.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5327   -8.7285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1102   -7.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5327   -7.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9517   -5.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9738   -6.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0663   -5.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0663   -4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6571   -6.6353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7389   -7.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0     0  0
 23 24  1  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
 14 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 15  1  0     0  0
  9 21  1  6     0  0
  1 23  1  0     0  0
  8 25  1  6     0  0
  7 26  1  6     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-BZSNNMDCSA-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/t16-,17-,18-/m0/s1

> <SMILES>
C1(OC)=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>
162897451

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 132451

> <CITATION>
-

$$$$