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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:71227 - (+)-epigallocatechin
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ChEBI Ontology
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ChEBI Name
(+)-epigallocatechin
ChEBI ID
CHEBI:71227
Definition
A flavan-3,3',4',5,5',7-hexol that has (2
S
,3
S
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H14O7
Net Charge
0
Average Mass
306.26750
Monoisotopic Mass
306.07395
InChI
InChI=1S/C15H14O7/c16-
7-
3-
9(17)
8-
5-
12(20)
15(22-
13(8)
4-
7)
6-
1-
10(18)
14(21)
11(19)
2-
6/h1-
4,12,15-
21H,5H2/t12-
,15-
/m0/s1
InChIKey
XMOCLSLCDHWDHP-WFASDCNBSA-N
SMILES
O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
ChEBI Ontology
Outgoing
(+)-epigallocatechin (
CHEBI:71227
)
is a
flavan-3,3',4',5,5',7-hexol (
CHEBI:71224
)
(+)-epigallocatechin (
CHEBI:71227
)
is enantiomer of
(−)-epigallocatechin (
CHEBI:42255
)
Incoming
(−)-epigallocatechin (
CHEBI:42255
)
is enantiomer of
(+)-epigallocatechin (
CHEBI:71227
)
IUPAC Name
(2
S
,3
S
)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2
H
-chromene-3,5,7-triol
Synonyms
Sources
(+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2
H
)-benzopyran-3,5,7-triol
ChEBI
(+)-
cis
-3,3',4',5,5',7-hexahydroxyflavane
ChEBI
(+)-epi-gallocatechin
ChEBI
(2
S
,3
S
)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2
H
-chromene-3,5,7-triol
ChEBI
(2
S
,3
S
)-flavan-3,3',4',5,5',7-hexol
ChEBI
(2
S
,3
S
)-flavan-3,5,7,3',4',5'-hexol
ChEBI
Last Modified
23 November 2012