LMPK12050209
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.6002   10.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    9.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4466    8.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2931    9.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2931   10.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4466   10.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398    8.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862    9.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862   10.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398   10.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8329    8.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8329    7.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7378    7.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6429    7.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6429    8.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7378    9.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398    7.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536    8.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536   10.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4466    7.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5471    7.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536    7.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9072    7.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9072    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4531    7.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4531    8.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5480    9.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9419    6.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4306    7.7593    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  2  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 15  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050209

> <COMMON_NAME>
Isochandalone

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone

> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CUDNUXBRPAPDBJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O5/c1-14(2)5-7-17-19(26)12-21-22(23(17)27)24(28)18(13-29-21)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-13,26-27H,7H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=CC4C=CC(C)(C)OC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15907834

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$