LMPK12050497
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.7391   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5881    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5881   10.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1353    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1353   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862   10.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8922    7.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8922    9.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862    7.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5881    7.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6490    7.3198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8900   10.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8900    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5507   11.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6490    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6490   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4981   10.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3473   10.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4981   11.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1353    7.3198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1353    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  0  0  0  0
  1  2  1  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  2  0  0  0  0
  3 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20  1  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  2  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050497

> <COMMON_NAME>
2'-O-Methylcajanone

> <SYSTEMATIC_NAME>
7,8-Dihydro-5-hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methyl-2-butenyl)phenyl]-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C26H28O6

> <MASS>
436.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
REBVXJPVOISSEO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H28O6/c1-14(2)6-7-15-10-17(20(30-5)11-19(15)27)18-13-31-22-12-21-16(8-9-26(3,4)32-21)24(28)23(22)25(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C=C3OC)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033806

> <CHEBI_ID>
175518

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
634867

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3821

> <CITATION>
-

$$$$