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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:139471 - (4
S
)-2,3-dehydroleucocyanidin
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ChEBI Ontology
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ChEBI Name
(4
S
)-2,3-dehydroleucocyanidin
ChEBI ID
CHEBI:139471
ChEBI ASCII Name
(4S)-2,3-dehydroleucocyanidin
Definition
A chromenol that is 2-(3,4-dihydroxyphenyl)-4
H
-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H12O7
Net Charge
0
Average Mass
304.252
Monoisotopic Mass
304.05830
InChI
InChI=1S/C15H12O7/c16-
7-
4-
10(19)
12-
11(5-
7)
22-
15(14(21)
13(12)
20)
6-
1-
2-
8(17)
9(18)
3-
6/h1-
5,13,16-
21H/t13-
/m0/s1
InChIKey
YAAGNRWEJSZFLV-ZDUSSCGKSA-N
SMILES
C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)O)O
ChEBI Ontology
Outgoing
(4
S
)-2,3-dehydroleucocyanidin (
CHEBI:139471
)
is a
chromenol (
CHEBI:39436
)
(4
S
)-2,3-dehydroleucocyanidin (
CHEBI:139471
)
is a
enol (
CHEBI:33823
)
(4
S
)-2,3-dehydroleucocyanidin (
CHEBI:139471
)
is a
polyphenol (
CHEBI:26195
)
(4
S
)-2,3-dehydroleucocyanidin (
CHEBI:139471
)
is a
secondary allylic alcohol (
CHEBI:134396
)
(4
S
)-2,3-dehydroleucocyanidin (
CHEBI:139471
)
is conjugate acid of
(4
S
)-2,3-dehydroleucocyanidin(1−) (
CHEBI:138948
)
Incoming
(4
S
)-2,3-dehydroleucocyanidin(1−) (
CHEBI:138948
)
is conjugate base of
(4
S
)-2,3-dehydroleucocyanidin (
CHEBI:139471
)
IUPAC Name
(4
S
)-2-(3,4-dihydroxyphenyl)-4
H
-1-benzopyran-3,4,5,7-tetrol
Manual Xref
Database
CPD-19726
MetaCyc
View more database links
Citation
Type
Source
11796114
PubMed citation
Europe PMC
Last Modified
16 January 2018