CHEBI:88363 - 8,5'-diferulic acid

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ChEBI Name 8,5'-diferulic acid
ChEBI ID CHEBI:88363
Definition A polyphenol composed of two molecules of ferulic acid joined by a bond between positions 8 and 5'.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H18O8
Net Charge 0
Average Mass 386.353
Monoisotopic Mass 386.100
InChI InChI=1S/C20H18O8/c1-27-16-9-11(3-5-15(16)21)8-14(20(25)26)13-7-12(4-6-18(22)23)10-17(28-2)19(13)24/h3-10,21,24H,1-2H3,(H,22,23)(H,25,26)/b6-4+,14-8+
InChIKey DEPVSDIYICBTJE-SITOFEAGSA-N
SMILES O(C=1C(O)=C(/C(=C\C2=CC(OC)=C(O)C=C2)/C(=O)O)C=C(C1)/C=C/C(=O)O)C
Metabolite of Species Details
Phyllanthus niruri (NCBI:txid296034) See: MetaboLights Study
Aspergillus unilateralis (NCBI:txid41057) of strain MST-F8675 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8,5'-diferulic acid (CHEBI:88363) has functional parent ferulic acid (CHEBI:17620)
8,5'-diferulic acid (CHEBI:88363) has role Aspergillus metabolite (CHEBI:76956)
8,5'-diferulic acid (CHEBI:88363) has role plant metabolite (CHEBI:76924)
8,5'-diferulic acid (CHEBI:88363) is a dicarboxylic acid (CHEBI:35692)
8,5'-diferulic acid (CHEBI:88363) is a methoxybenzenes (CHEBI:51683)
8,5'-diferulic acid (CHEBI:88363) is a olefinic compound (CHEBI:78840)
8,5'-diferulic acid (CHEBI:88363) is a polyphenol (CHEBI:26195)
IUPAC Name
(2E)-2-{5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Synonyms Sources
5-8'-Dehydrodiferulic acid ChEBI
8,5'-DiFA ChEBI
Ferulic acid 8-5-dehydrodimer ChEBI
Manual Xref Database
8,5%27-Diferulic_acid Wikipedia
View more database links
Registry Number Type Source
7051946 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11600039 PubMed citation Europe PMC
12569404 PubMed citation Europe PMC
15602607 PubMed citation Europe PMC
20638694 PubMed citation Europe PMC
IND20539205 Agricola citation Europe PMC
IND44357665 Agricola citation Europe PMC
Last Modified
08 June 2016