LMPK12112789
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.5689    8.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5689    7.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    7.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417    7.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417    8.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    9.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0781    7.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9146    7.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9146    8.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0781    9.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0781    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7509    9.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6034    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    9.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558   10.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6034   10.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7509   10.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2922    8.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6034   11.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2922   10.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3664   10.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7509    7.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0531    8.0781    0.0000 C   0  0  0  0  0  0  0  0  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
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112789

> <COMMON_NAME>
Myricetin 3,4'-dimethyl ether

> <SYSTEMATIC_NAME>
5,7,3',5'-Tetrahydroxy-3,4'-dimethoxyflavone

> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MVJHAGLBHWPKLS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O8/c1-23-16-10(20)3-7(4-11(16)21)15-17(24-2)14(22)13-9(19)5-8(18)6-12(13)25-15/h3-6,18-21H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70004

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259718

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46152

> <CITATION>
-

$$$$