LMPK12070075
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.8530    8.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    7.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451    7.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4374    7.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4374    8.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451    9.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    7.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0217    7.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0217    8.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    9.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8137    7.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8137    6.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6608    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078    6.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078    7.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6608    8.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    6.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    6.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5335    6.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451   10.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8784   10.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  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
 14 19  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070075

> <COMMON_NAME>
4-Methoxymedicarpin

> <SYSTEMATIC_NAME>
3-Hydroxy-4,9-dimethoxypterocarpan

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IPDALSAPRYQWGQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-16-11(15(12)22-14(10)7-9)5-6-13(18)17(16)20-2/h3-7,12,15,18H,8H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034001

> <CHEBI_ID>
174865

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14077265

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149635

> <CITATION>
-

$$$$