LMPK12070074
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.8671    8.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    7.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    9.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    7.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    8.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    9.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    6.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7615    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6238    6.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6238    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7615    8.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    6.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736   10.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4303    6.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6859    6.8179    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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
  6 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070074

> <COMMON_NAME>
4-Hydroxymedicarpin

> <SYSTEMATIC_NAME>
3,4-Dihydroxy-9-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRFDJOAWSXSLMG-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034012

> <CHEBI_ID>
174729

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11536537

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47082

> <CITATION>
-

$$$$