CHEBI:86957 - vanillyl alcohol diacetate

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ChEBI Name vanillyl alcohol diacetate ChEBI ID CHEBI:86957 Definition A phenyl acetate that is the diacetate obtained from the formal condensation of the two hydroxy groups of vanillyl alcohol with two molecules of acetic acid. 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 C12H14O5 Net Charge 0 Average Mass 238.23660 Monoisotopic Mass 238.08412 InChI InChI=1S/C12H14O5/c1-8(13)16-7-10-4-5-11(17-9(2)14)12(6-10)15-3/h4-6H,7H2,1-3H3 InChIKey ZOQJJSKHULYOOA-UHFFFAOYSA-N SMILES COc1cc(COC(C)=O)ccc1OC(C)=O ChEBI Ontology Outgoing vanillyl alcohol diacetate (CHEBI:86957) has functional parent vanillyl alcohol (CHEBI:18353) vanillyl alcohol diacetate (CHEBI:86957) is a monomethoxybenzene (CHEBI:25235) vanillyl alcohol diacetate (CHEBI:86957) is a phenyl acetates (CHEBI:140310) IUPAC Name [4-(acetyloxy)-3-methoxyphenyl]methyl acetate Last Modified 03 April 2018