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CHEBI:188665 - Eicosanyl caffeate

ChEBI IDCHEBI:188665
ChEBI NameEicosanyl caffeate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O4
Net Charge0
Average Mass460.699
Monoisotopic Mass460.35526
SMILESCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3/b23-21+
InChIKeyLTSJTDDQUOUKJT-XTQSDGFTSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Eicosanyl caffeate (CHEBI:188665) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
icosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
4478381ChemSpider