LMPK12050499
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    6.8922   10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561   10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243   11.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    9.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199   10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880   11.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    8.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0518    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0518    8.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8233    7.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5948    8.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5948    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8233    9.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4267    7.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    8.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199    7.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1945   10.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2525    6.7235    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
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
 13 21  1  0  0  0  0
  1 20  1  0  0  0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK12050499

> <COMMON_NAME>
Cajanol

> <SYSTEMATIC_NAME>
2,3-Dihydro-5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RYYWWFXWFMYKJM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3

> <SMILES>
C1(OC)=CC2OCC(C3=CC=C(O)C=C3OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
C10204

> <HMDB_ID>
HMDB0033924

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442670

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3821

> <CITATION>
-

$$$$