LMPK12111661
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   12.2499   10.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2499    9.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1703    8.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0906    9.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0906   10.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1703   11.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2789    8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3584    9.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379    8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379    7.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3584    7.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2789    7.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5176    9.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5971    8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5971    7.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5176    7.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5176    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3584    6.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9921   11.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1177    7.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036   10.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781   12.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891   13.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5374   10.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4359   13.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6288   10.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091   10.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8979   11.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033   12.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6230   11.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285   12.2195    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 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 19  2  0  0  0  0
  5 20  1  0  0  0  0
 12 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 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  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27 13  1  1     0  0
M  END
> <LM_ID>
LMPK12111661

> <COMMON_NAME>
8-C-beta-D-Glucopyranosylkaempferol

> <SYSTEMATIC_NAME>
8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IBDHZQYGNNIQTP-VSUBPPGOSA-N

> <INCHI>
InChI=1S/C21H20O11/c22-6-11-14(26)16(28)18(30)21(31-11)13-10(25)5-9(24)12-15(27)17(29)19(32-20(12)13)7-1-3-8(23)4-2-7/h1-5,11,14,16,18,21-26,28-30H,6H2/t11-,14-,16+,18-,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258735

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$