LMPK12070055
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.8856    8.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8856    8.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    7.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5106    8.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5106    8.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    9.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233    7.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1358    8.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1358    8.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233    9.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9479    7.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9479    6.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8166    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6855    6.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6855    7.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8166    8.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3257    6.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5534    6.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4980    8.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5416    7.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
  1  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
 12 17  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070055

> <COMMON_NAME>
Kushenin

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-8-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NYGZYUAVZPIKBZ-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OCC3C4C=C(OC)C(O)=CC=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318889

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
-

$$$$