LMPK12050495
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.7597    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7597    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153    9.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    9.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377    6.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8673    6.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8673    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    8.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    6.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821    6.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153    6.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7228    6.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9041    9.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9041    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5545    9.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7228    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7228    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5785    9.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4341    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5785   10.6090    0.0000 C   0  0  0  0  0  0  0  0  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
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21  1  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050495

> <COMMON_NAME>
Cajanone

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

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BAKSOIVZFARRJC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-6-14-9-16(19(27)10-18(14)26)17-12-30-21-11-20-15(7-8-25(3,4)31-20)23(28)22(21)24(17)29/h5,7-11,17,26-28H,6,12H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C=C3O)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033804

> <CHEBI_ID>
175382

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
325518

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3821

> <CITATION>
-

$$$$