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ChEBI
> Main
CHEBI:28426 - cyanidin 3-
O
-β-
D
-glucoside
Main
ChEBI Ontology
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ChEBI Name
cyanidin 3-
O
-β-
D
-glucoside
ChEBI ID
CHEBI:28426
ChEBI ASCII Name
cyanidin 3-O-beta-D-glucoside
Definition
An anthocyanin cation that is a cyanidin cation linked to a β-
D
-glucosyl moiety at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3974, CHEBI:23429
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Formula
C21H21O11
Net Charge
+1
Average Mass
449.38484
Monoisotopic Mass
449.10784
InChI
InChI=1S/C21H20O11/c22-
7-
16-
17(27)
18(28)
19(29)
21(32-
16)
31-
15-
6-
10-
12(25)
4-
9(23)
5-
14(10)
30-
20(15)
8-
1-
2-
11(24)
13(26)
3-
8/h1-
6,16-
19,21-
22,27-
29H,7H2,(H3-
,23,24,25,26)
/p+1/t16-
,17-
,18+,19-
,21-
/m1/s1
InChIKey
RKWHWFONKJEUEF-GQUPQBGVSA-O
SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
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
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
has functional parent
cyanidin cation (
CHEBI:27843
)
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
has role
metabolite (
CHEBI:25212
)
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
is a
β-
D
-glucoside (
CHEBI:22798
)
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
is a
anthocyanin cation (
CHEBI:35218
)
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
is a
monosaccharide derivative (
CHEBI:63367
)
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
is conjugate acid of
cyanidin 3-
O
-β-
D
-glucoside betaine (
CHEBI:61318
)
Incoming
cyanidin 3-
O
-β-
D
-glucoside betaine (
CHEBI:61318
)
is conjugate base of
cyanidin 3-
O
-β-
D
-glucoside (
CHEBI:28426
)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl β-
D
-glucopyranoside
Synonyms
Sources
Cyanidin 3-O-beta-D-glucoside
KEGG COMPOUND
Cyanidin 3-O-glucoside
KEGG COMPOUND
Cyanidin 3-O-glucoside
KEGG COMPOUND
Manual Xrefs
Databases
C00002374
KNApSAcK
C08604
KEGG COMPOUND
HMDB0030684
HMDB
LMPK12010110
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1695615
Reaxys Registry Number
Reaxys
7084-24-4
CAS Registry Number
KEGG COMPOUND
Last Modified
23 October 2015