LMPK12070108
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    7.8225    9.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8225    8.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6548    7.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4869    8.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4869    9.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6548    9.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3190    7.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1512    8.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1512    9.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3190    9.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831    7.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831    6.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8728    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625    6.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625    7.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8728    8.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3278    6.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6514    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4550   10.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4994   10.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1085    9.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191   11.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4983   12.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9094    8.5196    0.0000 O   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
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070108

> <COMMON_NAME>
Clandestacarpin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JHGGFHPIFBPWNE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-10(2)16-8-13-15(24-16)6-4-12-18(13)23-9-20(22)14-5-3-11(21)7-17(14)25-19(12)20/h3-8,19,21-22H,1,9H2,2H3

> <SMILES>
C12OC(C(C)=C)=CC=1C1OCC3(O)C4=CC=C(O)C=C4OC3C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187428

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257478

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 45687

> <CITATION>
-

$$$$