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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:77439 -
p
-coutaric acid
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ChEBI Name
p
-coutaric acid
ChEBI ID
CHEBI:77439
ChEBI ASCII Name
p-coutaric acid
Definition
A cinnamate ester obtained by formal condensation of the carboxy group of a 4-coumaric acid with one of the hydroxy groups of tartaric acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C13H12O8
Net Charge
0
Average Mass
296.22960
Monoisotopic Mass
296.05322
InChI
InChI=1S/C13H12O8/c14-
8-
4-
1-
7(2-
5-
8)
3-
6-
9(15)
21-
11(13(19)
20)
10(16)
12(17)
18/h1-
6,10-
11,14,16H,(H,17,18)
(H,19,20)
InChIKey
INYJZRKTYXTZHP-UHFFFAOYSA-N
SMILES
OC(C(OC(=O)C=Cc1ccc(O)cc1)C(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
p
-coutaric acid (
CHEBI:77439
)
has functional parent
4-coumaric acid (
CHEBI:36090
)
p
-coutaric acid (
CHEBI:77439
)
is a
cinnamate ester (
CHEBI:36087
)
p
-coutaric acid (
CHEBI:77439
)
is a
dicarboxylic acid (
CHEBI:35692
)
p
-coutaric acid (
CHEBI:77439
)
is a
phenols (
CHEBI:33853
)
p
-coutaric acid (
CHEBI:77439
)
is a
tetraric acid derivative (
CHEBI:63440
)
Incoming
(2
R
,3
S
)-
cis
-coutaric acid (
CHEBI:76096
)
is a
p
-coutaric acid (
CHEBI:77439
)
(2
R
,3
S
)-
trans
-coutaric acid (
CHEBI:76095
)
is a
p
-coutaric acid (
CHEBI:77439
)
IUPAC Name
2-hydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}succinic acid
Synonym
Source
coutaric acid
ChEBI
Manual Xrefs
Databases
Coutaric_acid
Wikipedia
HMDB0029225
HMDB
View more database links
Citation
Type
Source
23697175
PubMed citation
Europe PMC
Last Modified
21 February 2014