LMPK12111845
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
   10.7712   10.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7712    9.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6366    9.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019    9.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019   10.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6366   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673    9.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2325    9.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2325   10.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673   11.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673    8.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0977   11.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9794   10.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8613   11.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8613   12.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9794   12.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0977   12.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6366    8.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9062   11.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7431   12.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457    9.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    6.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6938    4.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7240    5.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9194    7.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6192    6.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    7.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1679    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4356    5.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4509    6.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1928    7.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2079    7.3025    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 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
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12111845

> <COMMON_NAME>
Kaempferol 5-glucoside

> <SYSTEMATIC_NAME>
2-(4-Hydroxyphenyl)-3,7-dihydroxy-5- (beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,4',5,7-tetrahydroxyflavone 5-glucoside

> <INCHI_KEY>
ZSDLSQASILNAAH-HMGRVEAOSA-N

> <INCHI>
InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
75802

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
72551448

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 99043

> <CITATION>
-

$$$$