3-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-enoic acid (CHEBI:167970)

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CHEBI:167970 - 3-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-enoic acid

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ChEBI ID	CHEBI:167970
ChEBI Name	3-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-enoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O6
Net Charge	0
Average Mass	254.238
Monoisotopic Mass	254.07904
SMILES	COc1cc(O)c(/C=C/C(=O)O)c(OC)c1OC
InChI	InChI=1S/C12H14O6/c1-16-9-6-8(13)7(4-5-10(14)15)11(17-2)12(9)18-3/h4-6,13H,1-3H3,(H,14,15)/b5-4+
InChIKey	CMNRNMPLSAEOHD-SNAWJCMRSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-enoic acid (CHEBI:167970) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
(E)-3-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-enoic acid