CHEBI:226016 - 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic 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 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid
ChEBI ID CHEBI:226016
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O3
Net Charge 0
Average Mass 234.295
Monoisotopic Mass 234.12559
InChI InChI=1S/C14H18O3/c1-10(9-11-7-5-4-6-8-11)12(15)14(2,3)13(16)17/h4-9,12,15H,1-3H3,(H,16,17)/b10-9+/t12-/m1/s1
InChIKey MRLQOAFAPRLGIF-BZYZDCJZSA-N
SMILES O=C(O)C([C@H](O)/C(=C/C1=CC=CC=C1)/C)(C)C
Metabolite of Species Details
Favolaschia (NCBI:txid139071) See: PubMed
ChEBI Ontology
Outgoing 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid (CHEBI:226016) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(E,3R)-3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid