LMPK12070012
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.5380   10.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5380    9.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    8.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1926    9.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1926   10.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652   10.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0199    8.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8471    9.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8471   10.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0199   10.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6742    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6742    7.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5588    7.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4433    7.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4433    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5588    9.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0286    7.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3270    7.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107   10.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109    7.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8857    7.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8857    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.7898    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
  2 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>
LMPK12070012

> <COMMON_NAME>
Calocarpin

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-2-prenylpterocarpan

> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CYXCYFYWIZXENQ-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0133799

> <CHEBI_ID>
189494

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15382622

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$