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ChEBI
> Main
CHEBI:15937 -
trans
-5-
O
-(4-coumaroyl)-
D
-quinic acid
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ChEBI Name
trans
-5-
O
-(4-coumaroyl)-
D
-quinic acid
ChEBI ID
CHEBI:15937
ChEBI ASCII Name
trans-5-O-(4-coumaroyl)-D-quinic acid
Definition
The 5-
O
-(4-coumaroyl) derivative of (−)-quinic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12866, CHEBI:27063, CHEBI:10716, CHEBI:32351
Supplier Information
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Formula
C16H18O8
Net Charge
0
Average Mass
338.30932
Monoisotopic Mass
338.10017
InChI
InChI=1S/C16H18O8/c17-
10-
4-
1-
9(2-
5-
10)
3-
6-
13(19)
24-
12-
8-
16(23,15(21)
22)
7-
11(18)
14(12)
20/h1-
6,11-
12,14,17-
18,20,23H,7-
8H2,(H,21,22)
/b6-
3+/t11-
,12-
,14-
,16+/m1/s1
InChIKey
BMRSEYFENKXDIS-OTCYKTEZSA-N
SMILES
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O)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
)
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.
(via
quinic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
trans
-5-
O
-(4-coumaroyl)-
D
-quinic acid (
CHEBI:15937
)
has functional parent
(−)-quinic acid (
CHEBI:17521
)
trans
-5-
O
-(4-coumaroyl)-
D
-quinic acid (
CHEBI:15937
)
is a
quinic acid (
CHEBI:26493
)
trans
-5-
O
-(4-coumaroyl)-
D
-quinic acid (
CHEBI:15937
)
is conjugate acid of
trans
-5-
O
-(4-coumaroyl)-
D
-quinate (
CHEBI:57575
)
Incoming
trans
-5-
O
-(4-coumaroyl)-
D
-quinate (
CHEBI:57575
)
is conjugate base of
trans
-5-
O
-(4-coumaroyl)-
D
-quinic acid (
CHEBI:15937
)
IUPAC Name
(1
S
,3
R
,4
R
,5
R
)-
1,3,4-
trihydroxy-
5-
[(2
E
)-
3-
(4-
hydroxyphenyl)prop-
2-
enoyloxy]cyclohexanecarboxylic acid
Synonyms
Sources
p-Coumaroyl quinic acid
KEGG COMPOUND
trans-5-O-(4-Coumaroyl)-D-quinate
KEGG COMPOUND
trans-5-O-(4-coumaroyl)-D-quinate
ChEBI
trans-5-O-(4-Coumaroyl)-D-quinate
KEGG COMPOUND
Manual Xref
Database
C12208
KEGG COMPOUND
View more database links
Last Modified
28 July 2014