3-(2′-(4′-hydroxyphenyl)acetoxy)-2S-methylpropanoic acid (CHEBI:216003)

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CHEBI:216003 - 3-(2′-(4′-hydroxyphenyl)acetoxy)-2S-methylpropanoic acid

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ChEBI ID	CHEBI:216003
ChEBI Name	3-(2′-(4′-hydroxyphenyl)acetoxy)-2S-methylpropanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O5
Net Charge	0
Average Mass	238.239
Monoisotopic Mass	238.08412
SMILES	C[C@@H](COC(=O)Cc1ccc(O)cc1)C(=O)O
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

Species of Metabolite	Component	Source	Comments
Epichloe bromicola (ncbitaxon:79588)	-	PubMed (26395226)

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
78441536	ChemSpider