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> Main
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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Wikipedia
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Read full article at Wikipedia
Formula
C20H18O8
Net Charge
0
Average Mass
386.353
Monoisotopic Mass
386.10017
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 (Br
o
nsted 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
(2
E
)-
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
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