CHEBI:229531 - 2-(2-Isopropyl-5-methylphenoxy)acetic acid

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 2-(2-Isopropyl-5-methylphenoxy)acetic acid
ChEBI ID CHEBI:229531
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C12H16O3
Net Charge 0
Average Mass 208.257
Monoisotopic Mass 208.10994
InChI InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKey MURZAHIYMVFXCF-UHFFFAOYSA-N
SMILES O(C1=C(C(C)C)C=CC(=C1)C)CC(O)=O
Metabolite of Species Details
Homo sapiens ( NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing 2-(2-Isopropyl-5-methylphenoxy)acetic acid (CHEBI:229531) has functional parent phenoxyacetic acid (CHEBI:8075)
2-(2-Isopropyl-5-methylphenoxy)acetic acid (CHEBI:229531) is a organic molecular entity (CHEBI:50860)
Synonym Source
(2S)-2-amino-3-naphthalen-2-ylpropanoic acid SUBMITTER