LMPK12111999
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.7984    7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    6.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443    6.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    6.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443    7.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    6.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7819    6.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7819    7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    7.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    5.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5274    7.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2876    7.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0479    7.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0479    8.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2876    9.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5274    8.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5274    6.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    9.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3328    7.8506    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3328    8.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3328    7.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079    7.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3059    6.1361    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3059    6.7924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3059    5.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0810    6.1361    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
 15 20  1  0  0  0  0
 21 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
 25  1  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111999

> <COMMON_NAME>
Kaempferol 3,7-di-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H10O12S2

> <MASS>
445.96

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CBWPMMFEOJLIPC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O12S2/c16-8-3-1-7(2-4-8)14-15(27-29(22,23)24)13(18)12-10(17)5-9(6-11(12)25-14)26-28(19,20)21/h1-6,16-17H,(H,19,20,21)(H,22,23,24)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12988285

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$