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CHEBI:186521 - Endoxifen sulfate

ChEBI IDCHEBI:186521
ChEBI NameEndoxifen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27NO5S
Net Charge0
Average Mass453.560
Monoisotopic Mass453.16099
SMILESCC/C(=C(/c1ccc(OCCNC)cc1)c1ccc(OS(=O)(=O)O)cc1)c1ccccc1
InChIInChI=1S/C25H27NO5S/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)30-18-17-26-2)21-11-15-23(16-12-21)31-32(27,28)29/h4-16,26H,3,17-18H2,1-2H3,(H,27,28,29)/b25-24+
InChIKeyDHSITAIKYQFMGG-OCOZRVBESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Endoxifen sulfate (CHEBI:186521) is a stilbenoid (CHEBI:26776)
IUPAC Name 
[4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0061140HMDB
30778636ChemSpider