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CHEBI:176305 - 1,28-Dicaffeoyloctacosanediol

ChEBI IDCHEBI:176305
ChEBI Name1,28-Dicaffeoyloctacosanediol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H70O8
Net Charge0
Average Mass751.058
Monoisotopic Mass750.50707
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C46H70O8/c47-41-31-27-39(37-43(41)49)29-33-45(51)53-35-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(52)34-30-40-28-32-42(48)44(50)38-40/h27-34,37-38,47-50H,1-26,35-36H2/b33-29+,34-30+
InChIKeyIXOGPOOZKLHKNF-BNRZXNFUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,28-Dicaffeoyloctacosanediol (CHEBI:176305) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
28-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyoctacosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0038064HMDB
30777229ChemSpider