LMPK12112944
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
   12.8664    8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8664    7.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    7.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    7.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    9.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3913    7.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2330    7.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2330    8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3913    9.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3913    6.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2928    9.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1505    9.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0084    9.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0084   10.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1505   11.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2928   10.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    6.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9264   11.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1177    9.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0851    7.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1505   12.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0251    7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6531    7.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700    8.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554   10.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8668   10.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5959   12.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1280    9.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3957    8.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4021    9.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450   10.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8772   10.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200   11.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723   12.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815   11.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395   13.0287    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
  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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  0  0  0
 16 22  1  0  0  0  0
  2 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 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  1     0  0
 29 20  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 28 35  1  0     0  0
 35 36  2  0     0  0
 35 37  1  0     0  0
M  END
> <LM_ID>
LMPK12112944

> <COMMON_NAME>
Quercetagetin 7-(6''-acetylglucoside)

> <SYSTEMATIC_NAME>
3,5,6,7,3',4'-Hexahydroxyflavone 7-(6''-acetylglucoside)

> <FORMULA>
C23H22O14

> <MASS>
522.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GKPUGKBFSRZAIC-SDBRSXMQSA-N

> <INCHI>
InChI=1S/C23H22O14/c1-7(24)34-6-13-16(28)19(31)21(33)23(37-13)36-12-5-11-14(17(29)15(12)27)18(30)20(32)22(35-11)8-2-3-9(25)10(26)4-8/h2-5,13,16,19,21,23,25-29,31-33H,6H2,1H3/t13-,16-,19+,21-,23-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102209469

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 176616

> <CITATION>
-

$$$$