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

ChEBI IDCHEBI:187225
ChEBI NameBenzyl trans-2-methyl-2-butenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O2
Net Charge0
Average Mass190.242
Monoisotopic Mass190.09938
SMILESC/C=C(\C)C(=O)OCc1ccccc1
InChIInChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
InChIKeyQRGSTISKDZCDHV-XCVCLJGOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
219025ChemSpider
HMDB0032177HMDB
Registry NumbersSources
CAS:37526-88-8ChemIDplus