LMPK12111581
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.8969    6.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8969    7.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1723    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478    7.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478    6.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1723    5.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    5.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3459    6.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    7.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0703    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948    7.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5193    7.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5193    8.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948    8.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0702    8.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7233    7.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0704    5.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2438    8.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948    9.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2427    7.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9659    7.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2043    9.7882    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
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111581

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,4'-Dihydroxy-7,3',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>
GBWMFLHSTNCGQS-UHFFFAOYSA-N

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

> <SMILES>
C12C(=O)C(O)=C(C3C=C(OC)C(O)=C(OC)C=3)OC=1C=C(OC)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10807373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$