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CHEBI:184692 - Kaempferide 3-O-sulfate

ChEBI IDCHEBI:184692
ChEBI NameKaempferide 3-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O9S
Net Charge0
Average Mass380.330
Monoisotopic Mass380.02020
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OS(=O)(=O)O)cc1
InChIInChI=1S/C16H12O9S/c1-23-10-4-2-8(3-5-10)15-16(25-26(20,21)22)14(19)13-11(18)6-9(17)7-12(13)24-15/h2-7,17-18H,1H3,(H,20,21,22)
InChIKeyKKQNMUQBVWQILU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferide 3-O-sulfate (CHEBI:184692) is a ether (CHEBI:25698)
Kaempferide 3-O-sulfate (CHEBI:184692) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
LMPK12112039LIPID MAPS
24844766ChemSpider