EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168609 - 1,26-Hexacosanediol diferulate

ChEBI IDCHEBI:168609
ChEBI Name1,26-Hexacosanediol diferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H70O8
Net Charge0
Average Mass751.058
Monoisotopic Mass750.50707
SMILESCOc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C46H70O8/c1-51-43-37-39(27-31-41(43)47)29-33-45(49)53-35-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(50)34-30-40-28-32-42(48)44(38-40)52-2/h27-34,37-38,47-48H,3-26,35-36H2,1-2H3/b33-29+,34-30+
InChIKeyCWBAUBYZOXBMBF-BNRZXNFUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,26-Hexacosanediol diferulate (CHEBI:168609) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
26-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
30776850ChemSpider
HMDB0030751HMDB