CHEBI:184557 - Prenyl benzoate

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 Prenyl benzoate
ChEBI ID CHEBI:184557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O2
Net Charge 0
Average Mass 190.242
Monoisotopic Mass 190.09938
InChI InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey INVWRXWYYVMFQC-UHFFFAOYSA-N
SMILES O(CC=C(C)C)C(=O)C1=CC=CC=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Prenyl benzoate (CHEBI:184557) is a benzoate ester (CHEBI:36054)
IUPAC Name
3-methylbut-2-enyl benzoate
Manual Xrefs Databases
19991 ChemSpider
C03885 KEGG COMPOUND
HMDB0032488 HMDB
NONAPRENYL-4-HYDROXYBENZOATE MetaCyc
View more database links
Registry Number Type Source
5205-11-8 CAS Registry Number ChemIDplus