EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187735 - (2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium

ChEBI IDCHEBI:187735
ChEBI Name(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22NO5
Net Charge+1
Average Mass296.343
Monoisotopic Mass296.14925
SMILESCOc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(O)c1O
InChIInChI=1S/C15H21NO5/c1-16(2,3)7-8-21-14(18)6-5-11-9-12(17)15(19)13(10-11)20-4/h5-6,9-10H,7-8H2,1-4H3,(H-,17,18,19)/p+1
InChIKeyZXGJGAAWPIAKMZ-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-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium (CHEBI:187735) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[(E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
Manual XrefsDatabases
HMDB0136315HMDB