LMPK12050103
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5636    9.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5636    8.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    7.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2253    8.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2253    9.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    9.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0563    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    8.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    9.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0563    9.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7181    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7181    6.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6065    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4950    6.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4950    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6065    8.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0563    6.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3259    6.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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  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  2  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 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050103

> <COMMON_NAME>
Kakkatin

> <SYSTEMATIC_NAME>
6,4'-Dihydroxy-7-methoxyisoflavone

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UXQHNHMMYMGPAH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-15-7-14-11(6-13(15)18)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676194

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3892

> <CITATION>
-

$$$$