LMPK12070066
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0            999 V2000
    8.7595   -6.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7595   -7.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5795   -7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3994   -7.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3994   -6.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5795   -5.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2193   -7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0393   -7.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0393   -6.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2193   -5.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8588   -7.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8588   -8.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   -9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6123   -8.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6123   -7.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   -7.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2193   -8.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9394   -7.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4322   -7.1084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9394   -5.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4322   -9.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0460   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3256   -8.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7327   -6.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6509   -7.9728    0.0000 H   0  0  0  0  0  0  0  0  0  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  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
  2 18  1  0     0  0
 15 19  1  0     0  0
  1 20  1  0     0  0
 14 21  1  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
  8 24  1  6     0  0
  7 25  1  6     0  0
M  END
> <LM_ID>
LMPK12070066

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,8-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>
RIVCVLWKSXZCKZ-BTDLBPIBSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-20-15-5-13-9(4-12(15)19)17-10(7-22-13)8-3-11(18)16(21-2)6-14(8)23-17/h3-6,10,17-19H,7H2,1-2H3/t10-,17-/m0/s1

> <SMILES>
C1(OC)C(O)=CC2[C@]3([H])OC4=CC(OC)=C(O)C=C4[C@]3([H])COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0138109

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162871019

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450079

> <CITATION>
-

$$$$