LMPK12113005
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.2260    6.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2260    6.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8977    5.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5693    6.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5693    6.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8977    7.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    5.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9126    6.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9126    6.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    7.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    5.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5843    7.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2689    6.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9533    7.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9533    8.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2689    8.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5843    8.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5843    5.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8977    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6249    8.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6705    7.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2689    9.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3144    9.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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
  8 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 23  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113005

> <COMMON_NAME>
Quercetagetin 7,3',4'-trimethyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CZPFBNZMODZHIK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040344

> <CHEBI_ID>
175613

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5322091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$