LMPK12112305
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.5788    8.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5788    7.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4603    7.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419    7.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419    8.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4603    9.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2235    7.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1051    7.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1051    8.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2235    9.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2235    6.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9863    9.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8848    8.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7832    9.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7832   10.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8848   10.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9863   10.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4603    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6815   10.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9863    7.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8848   12.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7618    9.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7487    9.5026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7487   10.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7487    8.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5026    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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  8 20  1  0  0  0  0
 16 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 22 23  1  0  0  0  0
 22  1  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112305

> <COMMON_NAME>
Quercetin 7-O-sulfate

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

> <FORMULA>
C15H10O10S

> <MASS>
382.00

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JBZKUBCDMZUWNG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O10S/c16-8-2-1-6(3-9(8)17)15-14(20)13(19)12-10(18)4-7(5-11(12)24-15)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10022760

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 63091

> <CITATION>
-

$$$$