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CHEBI:214576 - Ethyl 3(R)-acetamido-3-(4-hydroxyphenyl)propanoate

Default Structure
ChEBI IDCHEBI:214576
ChEBI NameEthyl 3(R)-acetamido-3-(4-hydroxyphenyl)propanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO4
Net Charge0
Average Mass251.282
Monoisotopic Mass251.11576
SMILESCCOC(=O)C[C@@H](NC(C)=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO4/c1-3-18-13(17)8-12(14-9(2)15)10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyLJNDMODRTICCRB-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1007/s10600-020-03126-8)
ChEBI Ontology
Outgoing Relation(s)
Ethyl 3(R)-acetamido-3-(4-hydroxyphenyl)propanoate (CHEBI:214576) has functional parent β-amino acid (CHEBI:33706)
Ethyl 3(R)-acetamido-3-(4-hydroxyphenyl)propanoate (CHEBI:214576) is a organonitrogen compound (CHEBI:35352)
Ethyl 3(R)-acetamido-3-(4-hydroxyphenyl)propanoate (CHEBI:214576) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
ethyl (3R)-3-acetamido-3-(4-hydroxyphenyl)propanoate