LMPK12070008
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.2286    7.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2286    6.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    6.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5769    6.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5769    7.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    7.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2510    6.2483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9252    6.6376    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9252    7.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2510    7.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    6.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    5.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3199    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0407    5.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0407    6.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3199    6.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2582    5.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608    5.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608    6.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608    7.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4809    7.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2009    7.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4809    8.7429    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
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070008

> <COMMON_NAME>
Sophorapterocarpan A

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

> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Homoedudiol

> <INCHI_KEY>
AZLNYSCXKUKIRV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14017298

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$