LMPK12111302
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.8880    7.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    6.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    7.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730    6.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6680    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6680    7.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730    7.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730    5.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3630    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0714    7.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7797    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7797    8.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    8.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3630    8.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    5.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    8.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6680    8.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111302

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,8,2'-Trihydroxy-7-methoxyflavone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NKSITEVSJGHWCO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-13-7-11(19)14-10(18)6-12(22-16(14)15(13)20)8-4-2-3-5-9(8)17/h2-7,17,19-20H,1H3

> <SMILES>
C1(OC)=C(O)C2OC(C3C(O)=CC=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156992

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$