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CHEBI:68000 - Docosyl trans-ferulate

ChEBI IDCHEBI:68000
ChEBI NameDocosyl trans-ferulate
Stars
DefinitionA natural product found in Panax japonicus var. major.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H54O4
Net Charge0
Average Mass502.780
Monoisotopic Mass502.40221
SMILESCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3/b26-24+
InChIKeyUSNYNNITUQSEEV-SHHOIMCASA-N
Species of MetaboliteComponentSourceComments
Panax japonicus var. major (ncbitaxon:45211) root (BTO:0001188) PubMed (21417387) Ethanolic extract of dried and pulverized roots
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Docosyl trans-ferulate (CHEBI:68000) has role metabolite (CHEBI:25212)
Docosyl trans-ferulate (CHEBI:68000) is a hydroxycinnamic acid (CHEBI:24689)
Citations