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CHEBI:186964 - (2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium

ChEBI IDCHEBI:186964
ChEBI Name(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20NO4
Net Charge+1
Average Mass266.317
Monoisotopic Mass266.13868
SMILESC[N+](C)(C)CCOC(=O)C=Cc1ccc(O)c(O)c1
InChIInChI=1S/C14H19NO4/c1-15(2,3)8-9-19-14(18)7-5-11-4-6-12(16)13(17)10-11/h4-7,10H,8-9H2,1-3H3,(H-,16,17,18)/p+1
InChIKeyHLGBXKIGYXVIFU-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium (CHEBI:186964) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
Manual XrefsDatabases
HMDB0136312HMDB
4945043ChemSpider
Registry NumbersSources
CAS:87189-10-4ChemIDplus