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CHEBI:133570 - eugenol sulfate

ChEBI IDCHEBI:133570
ChEBI Nameeugenol sulfate
Stars
DefinitionA phenylpropanoid that is eugenol in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified3 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H12O5S
Net Charge0
Average Mass244.268
Monoisotopic Mass244.04054
SMILESC=CCc1ccc(OS(=O)(=O)O)c(OC)c1
InChIInChI=1S/C10H12O5S/c1-3-4-8-5-6-9(10(7-8)14-2)15-16(11,12)13/h3,5-7H,1,4H2,2H3,(H,11,12,13)
InChIKeyXWAZTQUZONPJEW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
eugenol sulfate (CHEBI:133570) has functional parent eugenol (CHEBI:4917)
eugenol sulfate (CHEBI:133570) is a aryl sulfate (CHEBI:37919)
eugenol sulfate (CHEBI:133570) is a monomethoxybenzene (CHEBI:25235)
eugenol sulfate (CHEBI:133570) is a phenylpropanoid (CHEBI:26004)
eugenol sulfate (CHEBI:133570) is conjugate acid of eugenol sulfate(1−) (CHEBI:133571)
Incoming Relation(s)
eugenol sulfate(1−) (CHEBI:133571) is conjugate base of eugenol sulfate (CHEBI:133570)
IUPAC Name 
2-methoxy-4-(prop-2-en-1-yl)phenyl hydrogen sulfate
Synonyms  Source
sulfuric acid mono-(4-allyl-2-methoxy-phenyl ester)ChEBI
4-allyl-2-methoxyphenyl hydrogen sulfateChEBI
Registry NumbersSources
Reaxys:3329536Reaxys
CAS:95480-60-7ChemIDplus