EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183911 - Daidzein 4'-sulfate

ChEBI IDCHEBI:183911
ChEBI NameDaidzein 4'-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O7S
Net Charge0
Average Mass334.305
Monoisotopic Mass334.01472
SMILESO=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H10O7S/c16-10-3-6-12-14(7-10)21-8-13(15(12)17)9-1-4-11(5-2-9)22-23(18,19)20/h1-8,16H,(H,18,19,20)
InChIKeyCQRHJEVIKOKQMO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
Daidzein 4'-sulfate (CHEBI:183911) is a isoflavones (CHEBI:38757)
IUPAC Name 
[4-(7-hydroxy-4-oxochromen-3-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
13076689ChemSpider