CHEBI:193729 - 4-Methoxybenzyl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-Methoxybenzyl acetate
ChEBI ID CHEBI:193729
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O3
Net Charge 0
Average Mass 180.203
Monoisotopic Mass 180.07864
InChI InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey HFNGYHHRRMSKEU-UHFFFAOYSA-N
SMILES O(CC1=CC=C(OC)C=C1)C(=O)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Methoxybenzyl acetate (CHEBI:193729) has functional parent benzyl alcohol (CHEBI:17987)
4-Methoxybenzyl acetate (CHEBI:193729) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(4-methoxyphenyl)methyl acetate
Manual Xrefs Databases
7410 ChemSpider
HMDB0033761 HMDB
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Registry Number Type Source
104-21-2 CAS Registry Number ChemIDplus