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CHEBI:226016 - 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid

ChEBI IDCHEBI:226016
ChEBI Name3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC/C(=C\c1ccccc1)[C@@H](O)C(C)(C)C(=O)O
InChIInChI=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
InChIKeyMRLQOAFAPRLGIF-BZYZDCJZSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (32193929)
ChEBI Ontology
Outgoing Relation(s)
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