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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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CHEBI:69656 - Caffeic acid ethyl ester
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ChEBI Name
Caffeic acid ethyl ester
ChEBI ID
CHEBI:69656
Definition
A natural product found in
Solanum campaniforme
.
Stars
This entity has been manually annotated by a third party.
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Formula
C11H12O4
Net Charge
0
Average Mass
208.21060
Monoisotopic Mass
208.07356
InChI
InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
InChIKey
WDKYDMULARNCIS-GQCTYLIASA-N
SMILES
CCOC(=O)\C=C\c1ccc(O)c(O)c1
Metabolite of Species
Details
Solanum campaniforme
(IPNI:818569-1)
Found in leaf
(BTO:0000713)
. Dried leaves were extracted with ethyl alcohol. 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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Caffeic acid ethyl ester (
CHEBI:69656
)
has role
metabolite (
CHEBI:25212
)
Caffeic acid ethyl ester (
CHEBI:69656
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Synonyms
Sources
3,4-Dihydroxycinnamic acid ethyl ester
ChEBI
Ethyl caffeate
ChEBI
Manual Xref
Database
0000102374
ChemIDplus
View more database links
Citation
Type
Source
21962208
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:olefinic compound(CHEBI:78840); ISA:catechols(CHEBI:33566); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);