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CHEBI:188269 - Diethylstilbestrol monosulfate

ChEBI IDCHEBI:188269
ChEBI NameDiethylstilbestrol monosulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O2.H2O4S
Net Charge0
Average Mass366.435
Monoisotopic Mass366.11371
SMILESCC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(O)O
InChIInChI=1S/C18H20O2.H2O4S/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;1-5(2,3)4/h5-12,19-20H,3-4H2,1-2H3;(H2,1,2,3,4)/b18-17+;
InChIKeyTVTGRZFEIXKFIS-ZAGWXBKKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Diethylstilbestrol monosulfate (CHEBI:188269) is a stilbenoid (CHEBI:26776)
IUPAC Name 
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;suluric acid