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ChEBI
> Main
CHEBI:86599 - coniferyl
p
-coumarate
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ChEBI Name
coniferyl
p
-coumarate
ChEBI ID
CHEBI:86599
ChEBI ASCII Name
coniferyl p-coumarate
Definition
A cinnamate ester obtained by the formal condensation of the hydroxy of coniferol with the carboxy group of
trans
-4-coumaric acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H18O5
Net Charge
0
Average Mass
326.34320
Monoisotopic Mass
326.11542
InChI
InChI=1S/C19H18O5/c1-
23-
18-
13-
15(6-
10-
17(18)
21)
3-
2-
12-
24-
19(22)
11-
7-
14-
4-
8-
16(20)
9-
5-
14/h2-
11,13,20-
21H,12H2,1H3/b3-
2+,11-
7+
InChIKey
UPNLRNQUIJXYPN-LFWRRJNUSA-N
SMILES
COc1cc(\C=C\COC(=O)\C=C\c2ccc(O)cc2)ccc1O
ChEBI Ontology
Outgoing
coniferyl
p
-coumarate (
CHEBI:86599
)
has functional parent
trans
-4-coumaric acid (
CHEBI:32374
)
coniferyl
p
-coumarate (
CHEBI:86599
)
has functional parent
coniferol (
CHEBI:17745
)
coniferyl
p
-coumarate (
CHEBI:86599
)
is a
cinnamate ester (
CHEBI:36087
)
coniferyl
p
-coumarate (
CHEBI:86599
)
is a
guaiacols (
CHEBI:134251
)
IUPAC Name
(2
E
)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl (2
E
)-3-(4-hydroxyphenyl)prop-2-enoate
Registry Number
Type
Source
7649308
Reaxys Registry Number
Reaxys
Last Modified
07 April 2017