LMPK12112183
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.4215    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4215    7.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3012    7.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807    7.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3012    9.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0603    7.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399    7.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0603    9.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0603    6.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8190    9.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7157    8.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6121    9.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6121   10.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7157   10.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8190   10.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    9.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3012    6.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3778   10.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8190    7.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5959    8.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525    7.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5083    5.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9095    4.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8731    7.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4028    4.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6748    7.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5531    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6299    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8305    5.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9522    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1527    5.7135    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
 20 15  1  0  0  0  0
  8 21  1  0  0  0  0
 14 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 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  1     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12112183

> <COMMON_NAME>
Quercetin 3'-glucoside

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxyflavone

> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YLWQTYZKYGNKPI-HMGRVEAOSA-N

> <INCHI>
InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9934142

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3357

> <CITATION>
-

$$$$