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CHEBI:183289 - Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester

ChEBI IDCHEBI:183289
ChEBI NameBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
Stars
Last Modified7 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O3
Net Charge0
Average Mass292.419
Monoisotopic Mass292.20384
SMILESCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChIKeyPXMJCECEFTYEKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS1866)
ChEBI Ontology
Outgoing Relation(s)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester (CHEBI:183289) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Manual XrefsDatabases
56362ChemSpider
Registry NumbersSources
CAS:6386-38-5ChemIDplus