CHEBI:187225 - Benzyl trans-2-methyl-2-butenoate

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 Benzyl trans-2-methyl-2-butenoate
ChEBI ID CHEBI:187225
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/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
InChIKey QRGSTISKDZCDHV-XCVCLJGOSA-N
SMILES O(CC1=CC=CC=C1)C(=O)/C(/C)=C/C
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 Benzyl trans-2-methyl-2-butenoate (CHEBI:187225) has functional parent benzyl alcohol (CHEBI:17987)
Benzyl trans-2-methyl-2-butenoate (CHEBI:187225) is a carboxylic ester (CHEBI:33308)
IUPAC Name
benzyl (E)-2-methylbut-2-enoate
Manual Xrefs Databases
219025 ChemSpider
HMDB0032177 HMDB
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Registry Number Type Source
37526-88-8 CAS Registry Number ChemIDplus