LMPK12070030
  LIPID_MAPS_STRUCTURE_DATABASE

 20 23  0  0  0  0  0  0  0  0999 V2000
    9.0430   -5.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0430   -6.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8470   -7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6511   -6.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6511   -5.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8470   -5.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4552   -7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2592   -6.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2592   -5.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4552   -5.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0631   -7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0631   -8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9228   -8.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7825   -8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7825   -7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9228   -6.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4552   -8.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5866   -8.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2389   -5.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -6.0034    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
  1 19  1  0  0  0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMPK12070030

> <COMMON_NAME>
Isomedicarpin

> <SYSTEMATIC_NAME>
9-Hydroxy-3-methoxypterocarpan

> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YHZDBBUEVZEOIY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-18-10-3-5-12-14(7-10)19-8-13-11-4-2-9(17)6-15(11)20-16(12)13/h2-7,13,16-17H,8H2,1H3

> <SMILES>
C1(OC)C=CC2C3OC4=CC(O)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033305

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13803637

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3891

> <CITATION>
-

$$$$