LMPK12070008
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0            999 V2000
    8.1295   -5.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1295   -6.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9466   -7.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7638   -6.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7638   -5.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9466   -5.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5809   -7.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3981   -6.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3981   -5.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5809   -5.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2150   -7.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2150   -8.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0887   -8.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9624   -8.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9624   -7.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0887   -6.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5896   -8.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8352   -8.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3123   -5.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8352   -6.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8352   -5.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7081   -5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5808   -5.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7081   -4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9423   -6.3727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9649   -7.6431    0.0000 H   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
  8 25  1  6     0  0
  7 26  1  6     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-JXFKEZNVSA-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/t16-,20-/m0/s1

> <SMILES>
C1(O)C=CC2[C@]3([H])OC4=CC(O)=C(C/C=C(/C)\C)C=C4[C@]3([H])COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14017299

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2891946

> <CITATION>
-

$$$$