LMPK12112908
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   12.5929    8.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5929    7.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4710    7.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3491    7.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3491    8.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4710    9.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2271    7.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1051    7.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1051    8.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2271    9.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2271    6.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9829    9.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8776    8.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7726    9.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7726   10.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8776   10.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9829   10.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7152    9.4464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4710    6.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8776   12.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6672   10.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7152    7.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7758    7.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5364    7.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9626    8.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2241    9.4713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2408   11.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8530   10.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0473   12.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8472    9.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9710    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1002    9.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1088   10.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9850   11.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9934   12.4776    0.0000 C   0  0  0  0  0  0  0  0  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
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112908

> <COMMON_NAME>
Quercetagetin 3-methyl ether 7-glucoside

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

> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ACXKZFDCISQHGW-GUOJVKGFSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-21-17(29)13-10(33-20(21)7-2-3-8(24)9(25)4-7)5-11(14(26)16(13)28)34-22-19(31)18(30)15(27)12(6-23)35-22/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3/t12-,15-,18+,19-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21599446

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 183021

> <CITATION>
-

$$$$