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CHEBI:168277 - Feruloylcholine

ChEBI IDCHEBI:168277
ChEBI NameFeruloylcholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22NO4
Net Charge+1
Average Mass280.344
Monoisotopic Mass280.15433
SMILESCOc1cc(/C=C/C(=O)OCC[N+](C)(C)C)ccc1O
InChIInChI=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
InChIKeyXHSNXOZZHHJDDX-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Feruloylcholine (CHEBI:168277) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
Manual XrefsDatabases
30776954ChemSpider
HMDB0032800HMDB