CHEBI:86583 - isoeugenol acetate

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ChEBI Name isoeugenol acetate ChEBI ID CHEBI:86583 Definition A phenylpropanoid that is the acetate ester of trans-isoeugenol. 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 C12H14O3 Net Charge 0 Average Mass 206.23780 Monoisotopic Mass 206.09429 InChI InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+ InChIKey IUSBVFZKQJGVEP-SNAWJCMRSA-N SMILES COc1cc(\C=C\C)ccc1OC(C)=O ChEBI Ontology Outgoing isoeugenol acetate (CHEBI:86583) has functional parent trans-isoeugenol (CHEBI:50545) isoeugenol acetate (CHEBI:86583) is a monomethoxybenzene (CHEBI:25235) isoeugenol acetate (CHEBI:86583) is a phenyl acetates (CHEBI:140310) isoeugenol acetate (CHEBI:86583) is a phenylpropanoid (CHEBI:26004) IUPAC Name 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate Synonyms Sources (E)-isoeugenyl acetate ChemIDplus acetylated isoeugenol ChEBI trans-Isoeugenol acetate ChemIDplus Registry Numbers Types Sources 2052335 Reaxys Registry Number Reaxys 5912-87-8 CAS Registry Number ChemIDplus 5912-87-8 CAS Registry Number NIST Chemistry WebBook Last Modified 03 April 2018