LMPK12112761
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5678    8.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5678    7.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    7.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    7.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    8.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0737    7.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    7.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    8.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0737    9.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0737    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5958    8.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470   10.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5958   10.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444   10.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5958   11.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444    7.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5197    7.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2823   10.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1051   10.2500    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
  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
 16 20  1  0  0  0  0
  8 21  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112761

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

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5,7,3'-Trihydroxy-3,4'-dimethoxyflavone

> <INCHI_KEY>
ZSPZNFOLWQEVQJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70008

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5380905

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2603409

> <CITATION>
-

$$$$