CHEBI:216003 - 3-(2′-(4′-hydroxyphenyl)acetoxy)-2S-methylpropanoic 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-(2′-(4′-hydroxyphenyl)acetoxy)-2S-methylpropanoic acid
ChEBI ID CHEBI:216003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O5
Net Charge 0
Average Mass 238.239
Monoisotopic Mass 238.08412
InChI InChI=1S/C12H14O5/c1-8(12(15)16)7-17-11(14)6-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKey PUNCUSSYLXYBOP-QMMMGPOBSA-N
SMILES O=C(O)[C@H](COC(=O)CC1=CC=C(O)C=C1)C
Metabolite of Species Details
Epichloe bromicola (NCBI:txid79588) See: PubMed
ChEBI Ontology
Outgoing 3-(2′-(4′-hydroxyphenyl)acetoxy)-2S-methylpropanoic acid (CHEBI:216003) is a phenols (CHEBI:33853)
IUPAC Name
(2S)-3-[2-(4-hydroxyphenyl)acetyl]oxy-2-methylpropanoic acid
Manual Xref Database
78441536 ChemSpider
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