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ChEBI
> Main
CHEBI:136552 - epiafzelechin 3-gallate
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ChEBI Name
epiafzelechin 3-gallate
ChEBI ID
CHEBI:136552
Definition
A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3
R
)-hydroxy group of epiafzelechin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H18O9
Net Charge
0
Average Mass
426.374
Monoisotopic Mass
426.09508
InChI
InChI=1S/C22H18O9/c23-
12-
3-
1-
10(2-
4-
12)
21-
19(9-
14-
15(25)
7-
13(24)
8-
18(14)
30-
21)
31-
22(29)
11-
5-
16(26)
20(28)
17(27)
6-
11/h1-
8,19,21,23-
28H,9H2/t19-
,21-
/m1/s1
InChIKey
SDZPYNMXGUHFMZ-TZIWHRDSSA-N
SMILES
C1(=CC=2O[C@@H]([C@@H](CC2C(=C1)O)OC(C3=CC(=C(C(=C3)O)O)O)=O)C4=CC=C(C=C4)O)O
Metabolite of Species
Details
Camellia sinensis
(NCBI:txid4442)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
Camellia sinensis metabolite
Any plant metabolite that is produced by
Camellia sinensis
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
epiafzelechin 3-gallate (
CHEBI:136552
)
has functional parent
(−)-epiafzelechin (
CHEBI:31028
)
epiafzelechin 3-gallate (
CHEBI:136552
)
has role
Camellia sinensis
metabolite (
CHEBI:140160
)
epiafzelechin 3-gallate (
CHEBI:136552
)
is a
flavans (
CHEBI:38672
)
epiafzelechin 3-gallate (
CHEBI:136552
)
is a
gallate ester (
CHEBI:37576
)
epiafzelechin 3-gallate (
CHEBI:136552
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
(2
R
,3
R
)-
5,7-
dihydroxy-
2-
(4-
hydroxyphenyl)-
3,4-
dihydro-
2
H
-
1-
benzopyran-
3-
yl 3,4,5-
trihydroxybenzoate
Synonyms
Sources
(−)-epiafzelechin 3-gallate
ChEBI
(−)-epiafzelechin 3-
O
-gallate
ChEBI
Epiafzelechin 3-O-gallate
KNApSAcK
Manual Xrefs
Databases
C00008864
KNApSAcK
HMDB0038846
HMDB
LMPK12020038
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
108907-43-3
CAS Registry Number
KNApSAcK
5486573
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23187287
PubMed citation
Europe PMC
339329
Chinese Abstracts citation
Europe PMC
Last Modified
15 February 2018