LMPK12070068
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0  0  0  0  0  0  0  0999 V2000
    8.9176   -6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9176   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133   -7.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5091   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5091   -6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133   -5.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3049   -7.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1007   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1007   -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
   12.8962   -7.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8962   -8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   -8.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5978   -8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5978   -7.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   -6.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3049   -8.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5322   -8.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1098   -7.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5322   -7.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668   -5.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668   -7.4742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2007   -6.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2007   -6.0728    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  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
  2 22  1  0  0  0  0
  1 21  1  0  0  0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK12070068

> <COMMON_NAME>
2-Methoxypterocarpin

> <SYSTEMATIC_NAME>
2,3-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>
HPRCMYHWQYUZKB-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)C(OC)=CC2C3OC4=CC5OCOC=5C=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
630018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 183292

> <CITATION>
11858751

$$$$