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CHEBI:191734 - 4-Hydroxytamoxifen sulfate

ChEBI IDCHEBI:191734
ChEBI Name4-Hydroxytamoxifen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO5S
Net Charge0
Average Mass467.587
Monoisotopic Mass467.17664
SMILESCC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OS(=O)(=O)O)cc1)c1ccccc1
InChIInChI=1S/C26H29NO5S/c1-4-25(20-8-6-5-7-9-20)26(22-12-16-24(17-13-22)32-33(28,29)30)21-10-14-23(15-11-21)31-19-18-27(2)3/h5-17H,4,18-19H2,1-3H3,(H,28,29,30)/b26-25-
InChIKeyCFSXIBDXCWVFJR-QPLCGJKRSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxytamoxifen sulfate (CHEBI:191734) is a stilbenoid (CHEBI:26776)
IUPAC Name 
[4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0061123HMDB
30778630ChemSpider