CHEBI:180407 - Phenyl butyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Phenyl butyrate
ChEBI ID CHEBI:180407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey IGVPBCZDHMIOJH-UHFFFAOYSA-N
SMILES O(C(=O)CCC)C1=CC=CC=C1
ChEBI Ontology
Outgoing Phenyl butyrate (CHEBI:180407) is a benzoate ester (CHEBI:36054)
Phenyl butyrate (CHEBI:180407) is a phenols (CHEBI:33853)
IUPAC Name
phenyl butanoate
Manual Xrefs Databases
19172 ChemSpider
HMDB0041612 HMDB
View more database links
Registry Number Type Source
4346-18-3 CAS Registry Number ChemIDplus