LMPK12070132
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.8674    8.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8674    8.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742    7.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4809    8.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4809    8.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742    9.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    7.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0945    8.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0945    8.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    9.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    7.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    6.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7636    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6262    6.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6262    7.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7636    8.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2962    6.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4330    6.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    8.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   10.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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  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
  8 19  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070132

> <COMMON_NAME>
6a-Hydroxyisomedicarpin

> <SYSTEMATIC_NAME>
6a,9-Dihydroxy-3-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MENGTHFLVHDIFW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-19-10-3-4-11-13(7-10)20-8-16(18)12-5-2-9(17)6-14(12)21-15(11)16/h2-7,15,17-18H,8H2,1H3

> <SMILES>
C1(OC)C=CC2C3OC4=CC(O)=CC=C4C3(O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034114

> <CHEBI_ID>
174730

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257486

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47082

> <CITATION>
-

$$$$