LMPK12112987
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.5768    8.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    7.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    7.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2652    7.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2652    8.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    9.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1094    7.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9537    7.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9537    8.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1094    9.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1094    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7978    9.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    8.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5188    9.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5188   10.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583   10.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7978   10.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7978    7.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583   11.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3629   10.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.8026    0.0000 C   0  0  0  0  0  0  0  0  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
  8 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112987

> <COMMON_NAME>
Quercetagetin 7-methyl ether

> <SYSTEMATIC_NAME>
3,5,6,3',4'-Pentahydroxy-7-methoxyflavone

> <FORMULA>
C16H12O8

> <MASS>
332.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NJNWJNSULVNMQF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O8/c1-23-10-5-9-11(13(20)12(10)19)14(21)15(22)16(24-9)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196348

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15233951

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47247

> <CITATION>
-

$$$$