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CHEBI:133594 - isoeugenol sulfate

ChEBI IDCHEBI:133594
ChEBI Nameisoeugenol sulfate
Stars
DefinitionA phenylpropanoid that is isoeugenol in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified4 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H12O5S
Net Charge0
Average Mass244.268
Monoisotopic Mass244.04054
SMILESCC=Cc1ccc(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/h3-7H,1-2H3,(H,11,12,13)
InChIKeyHRHBRUPGUDLQIF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoeugenol sulfate (CHEBI:133594) has functional parent isoeugenol (CHEBI:18224)
isoeugenol sulfate (CHEBI:133594) is a aryl sulfate (CHEBI:37919)
isoeugenol sulfate (CHEBI:133594) is a monomethoxybenzene (CHEBI:25235)
isoeugenol sulfate (CHEBI:133594) is a phenylpropanoid (CHEBI:26004)
isoeugenol sulfate (CHEBI:133594) is conjugate acid of isoeugenol sulfate(1−) (CHEBI:133595)
Incoming Relation(s)
isoeugenol sulfate(1−) (CHEBI:133595) is conjugate base of isoeugenol sulfate (CHEBI:133594)
IUPAC Name 
2-methoxy-4-(prop-1-en-1-yl)phenyl hydrogen sulfate
Synonym  Source
sulfuric acid mono-2-methoxy-4-propenylphenyl esterChEBI
Registry NumbersSources
Reaxys:3342108Reaxys