CHEBI:133570 - eugenol sulfate

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ChEBI Name eugenol sulfate ChEBI ID CHEBI:133570 Definition A phenylpropanoid that is eugenol in which the phenolic hydrogen has been replaced by a sulfo group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H12O5S Net Charge 0 Average Mass 244.266 Monoisotopic Mass 244.04054 InChI InChI=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) InChIKey XWAZTQUZONPJEW-UHFFFAOYSA-N SMILES OS(OC=1C=CC(=CC1OC)CC=C)(=O)=O ChEBI Ontology Outgoing 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 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 Sources 4-allyl-2-methoxyphenyl hydrogen sulfate ChEBI sulfuric acid mono-(4-allyl-2-methoxy-phenyl ester) ChEBI Registry Numbers Types Sources 3329536 Reaxys Registry Number Reaxys 95480-60-7 CAS Registry Number ChemIDplus Last Modified 03 October 2016