Feruloylcholine (CHEBI:168277)

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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	Feruloylcholine

ChEBI ID	CHEBI:168277

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22NO4

Net Charge

Average Mass

280.343

Monoisotopic Mass

280.15433

InChI

InChI=1S/C15H21NO4/c1-16(2,3)9-10-20-15(18)8-6-12-5-7-13(17)14(11-12)19-4/h5-8,11H,9-10H2,1-4H3/p+1

InChIKey

XHSNXOZZHHJDDX-UHFFFAOYSA-O

SMILES

O(CC[N+](C)(C)C)C(=O)/C=C/C1=CC(OC)=C(O)C=C1

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Feruloylcholine (CHEBI:168277) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium