CHEBI:39359 - 2-(4-hydroxyphenyl)-3-methylbutyric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-hydroxyphenyl)-3-methylbutyric acid
ChEBI ID CHEBI:39359
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H14O3
Net Charge 0
Average Mass 194.22706
Monoisotopic Mass 194.09429
InChI InChI=1S/C11H14O3/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10,12H,1-2H3,(H,13,14)
InChIKey GDBITPXOESTAML-UHFFFAOYSA-N
SMILES CC(C)C(C(O)=O)c1ccc(O)cc1
ChEBI Ontology
Outgoing 2-(4-hydroxyphenyl)-3-methylbutyric acid (CHEBI:39359) has functional parent isovaleric acid (CHEBI:28484)
2-(4-hydroxyphenyl)-3-methylbutyric acid (CHEBI:39359) is a phenols (CHEBI:33853)
Incoming flucythrinate (CHEBI:34763) has functional parent 2-(4-hydroxyphenyl)-3-methylbutyric acid (CHEBI:39359)
ZXI 8901 (CHEBI:39402) has functional parent 2-(4-hydroxyphenyl)-3-methylbutyric acid (CHEBI:39359)
IUPAC Name
2-(4-hydroxyphenyl)-3-methylbutanoic acid
Registry Numbers Types Sources
2096386 Beilstein Registry Number Beilstein
70124-98-0 CAS Registry Number ChemIDplus
Last Modified
28 August 2007