LMPK12112753
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.5528    9.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5528    8.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1928    8.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1928    9.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0129    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8330    8.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8330    9.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0129    9.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0129    6.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6530    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4888    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3247    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3247   10.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4889   10.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6530   10.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1448   10.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6530    7.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6530    6.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4889   11.9043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7654   12.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    6.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4260    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  8 20  1  0  0  0  0
 16 22  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112753

> <COMMON_NAME>
Quercetin 3,5,3'-trimethyl ether

> <SYSTEMATIC_NAME>
7,4'-Dihydroxy-3,5,3'-trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VGKWUQZAFRYZOU-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14162697

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 335179

> <CITATION>
-

$$$$