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CHEBI:190788 - 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid

ChEBI IDCHEBI:190788
ChEBI Name5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCc1cc(OCCCC(C)(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C15H22O4/c1-10-9-13(11(2)8-12(10)16)19-7-5-6-15(3,4)14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyVJICDPYDJADQNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (CHEBI:190788) is a aromatic ether (CHEBI:35618)
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (CHEBI:190788) is a phenols (CHEBI:33853)
IUPAC Name 
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
Manual XrefsDatabases
8621049ChemSpider
Registry NumbersSources
CAS:80373-12-2ChemIDplus