LMPK12111336
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.6979    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    9.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 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
  4 18  1  0  0  0  0
  6 19  1  0  0  0  0
  3 20  1  0  0  0  0
 13 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111336

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7-Dihydroxy-8,3',5'trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KLKPEJIOCCWGEY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-10-4-9(5-11(6-10)23-2)15-8-13(20)16-12(19)7-14(21)17(24-3)18(16)25-15/h4-8,19,21H,1-3H3

> <SMILES>
C12C(=O)C=C(C3C=C(OC)C=C(OC)C=3)OC=1C(OC)=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0138018

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258563

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$