LMPK12112997
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.5542    9.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542    8.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    7.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1975    8.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1975    9.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    9.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191    7.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    8.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    9.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191    9.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191    6.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625    9.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    9.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    9.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373   10.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998   11.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   10.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998   12.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1589   11.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    6.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4311    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625    7.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625    6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.2929    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
  2 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 25  1  0  0  0  0
  8 23  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112997

> <COMMON_NAME>
Quercetagetin 3,5,7-trimethyl ether

> <SYSTEMATIC_NAME>
6,3',4'-Trihydroxy-3,5,7-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GQZQQAWVTXTUJX-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14376221

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119185

> <CITATION>
-

$$$$