LMPK12111997
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.6205    8.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5087    7.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969    8.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5087    9.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2852    7.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1734    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1734    8.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2852    9.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2852    6.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    9.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9666    8.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8720    9.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8720   10.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9666   11.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613   10.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    7.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5087    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7770   11.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    7.3859    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    8.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    6.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9115    7.3859    0.0000 O   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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111997

> <COMMON_NAME>
Kaempferol 3-O-sulfate

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxyflavone 3-O-sulfate

> <FORMULA>
C15H10O9S

> <MASS>
366.00

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VOYLAWHADGDBIE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22)

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(OS(O)(=O)=O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193271

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259052

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 640645

> <CITATION>
-

$$$$