LMPK12070084
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.6557    8.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6557    7.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3115    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    7.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    8.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3115    8.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230    7.3668    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2787    7.7455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2787    8.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230    8.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9343    7.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9343    6.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    6.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3364    6.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3364    7.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    7.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230    6.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3115    9.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    5.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9921    6.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9921    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
  6 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070084

> <COMMON_NAME>
Melilotocarpan D

> <SYSTEMATIC_NAME>
4,10-Dihydroxy-3,9-dimethoxypterocarpan

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TYCXZCXHNKDQCZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-20-11-6-4-9-15-10(7-22-16(9)13(11)18)8-3-5-12(21-2)14(19)17(8)23-15/h3-6,10,15,18-19H,7H2,1-2H3

> <SMILES>
C1(OC)=C(O)C2OCC3C4C=CC(OC)=C(O)C=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033692

> <CHEBI_ID>
175055

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319351

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$