LMPK12112885
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.2468    8.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6316    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6316    8.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    8.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3240    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0164    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0164    8.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3240    8.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3240    6.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7088    8.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4145    8.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1201    8.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1201    9.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4145    9.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7088    9.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7088    5.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7088    6.0169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9092    6.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7088    6.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5083    6.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    6.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125    9.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7017    9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  4  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21  8  1  0  0  0  0
 23  3  1  0  0  0  0
  2 24  1  0  0  0  0
 15 27  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112885

> <COMMON_NAME>
6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O10S

> <MASS>
410.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NQHBTXFVHIYSTF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O10S/c1-24-9-5-3-8(4-6-9)16-17(27-28(21,22)23)15(20)12-10(26-16)7-11(25-2)13(18)14(12)19/h3-7,18-19H,1-2H3,(H,21,22,23)

> <SMILES>
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=C(OS(=O)(=O)O)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185696

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259775

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$