Benzyl D-2-methylbutyrate (CHEBI:229067)

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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	Benzyl D-2-methylbutyrate

ChEBI ID	CHEBI:229067

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O2

Net Charge

Average Mass

192.258

Monoisotopic Mass

192.11503

InChI

InChI=1S/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3

InChIKey

PTKDIBUNVYIPOD-UHFFFAOYSA-N

SMILES

O(C(=O)C(CC)C)CC1=CC=CC=C1

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	Benzyl D-2-methylbutyrate (CHEBI:229067) has functional parent benzyl alcohol (CHEBI:17987) Benzyl D-2-methylbutyrate (CHEBI:229067) is a carboxylic ester (CHEBI:33308)

IUPAC Name

benzyl 2-methylbutanoate