LMPK12112956
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
   16.5044    9.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6276    9.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6276   10.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5044   11.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3811   10.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3811    9.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7508    9.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8740    9.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    9.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    8.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8740    7.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7508    8.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    9.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2435    9.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2435    8.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    7.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8740    6.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3669    9.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6276    7.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    6.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2580   11.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5044   12.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4323    7.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4184    5.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7119    4.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    5.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7326    7.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    7.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5817    7.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5747    6.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7187    5.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8751    6.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8821    7.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    7.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 15 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 23  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12112956

> <COMMON_NAME>
Quercetagetin 6-glucoside

> <SYSTEMATIC_NAME>
2- (3,4-Dihydroxyphenyl) -6- (beta-D-glucopyranosyloxy) -3,5,7-trihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O13

> <MASS>
480.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Hydroxyquercetin 6-glucoside

> <INCHI_KEY>
OKJRTFAIFAZTSU-IWCNZLJZSA-N

> <INCHI>
InChI=1S/C21H20O13/c22-5-11-13(26)16(29)18(31)21(33-11)34-20-9(25)4-10-12(15(20)28)14(27)17(30)19(32-10)6-1-2-7(23)8(24)3-6/h1-4,11,13,16,18,21-26,28-31H,5H2/t11-,13-,16+,18-,21+/m1/s1

> <SMILES>
C1C=C(O)C(O)=CC=1C1=C(O)C(=O)C2C(O)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101701126

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13707

> <CITATION>
-

$$$$