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> Main
CHEBI:31985 - petunidin 3-
O
-β-
D
-glucoside
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ChEBI Name
petunidin 3-
O
-β-
D
-glucoside
ChEBI ID
CHEBI:31985
ChEBI ASCII Name
petunidin 3-O-beta-D-glucoside
Definition
An anthocyanin cation that is petunidin substituted at position 3 by a β-
D
-glucosyl residue
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C22H23O12
Net Charge
+1
Average Mass
479.41080
Monoisotopic Mass
479.11840
InChI
InChI=1S/C22H22O12/c1-
31-
14-
3-
8(2-
12(26)
17(14)
27)
21-
15(6-
10-
11(25)
4-
9(24)
5-
13(10)
32-
21)
33-
22-
20(30)
19(29)
18(28)
16(7-
23)
34-
22/h2-
6,16,18-
20,22-
23,28-
30H,7H2,1H3,(H3-
,24,25,26,27)
/p+1/t16-
,18-
,19+,20-
,22-
/m1/s1
InChIKey
CCQDWIRWKWIUKK-QKYBYQKWSA-O
SMILES
COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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
petunidin 3-
O
-β-
D
-glucoside (
CHEBI:31985
)
has functional parent
petunidin (
CHEBI:75318
)
petunidin 3-
O
-β-
D
-glucoside (
CHEBI:31985
)
has role
antioxidant (
CHEBI:22586
)
petunidin 3-
O
-β-
D
-glucoside (
CHEBI:31985
)
has role
metabolite (
CHEBI:25212
)
petunidin 3-
O
-β-
D
-glucoside (
CHEBI:31985
)
is a
β-
D
-glucoside (
CHEBI:22798
)
petunidin 3-
O
-β-
D
-glucoside (
CHEBI:31985
)
is a
anthocyanin cation (
CHEBI:35218
)
petunidin 3-
O
-β-
D
-glucoside (
CHEBI:31985
)
is a
aromatic ether (
CHEBI:35618
)
IUPAC Name
2-
(3,4-
dihydroxy-
5-
methoxyphenyl)-
5,7-
dihydroxychromenium-
3-
yl β-
D
-
glucopyranoside
Synonyms
Sources
Petunidin 3-glucoside
KEGG COMPOUND
Petunidin 3-
O
-β-
D
-glucopyranoside
HMDB
Manual Xrefs
Databases
C00006722
KNApSAcK
C12139
KEGG COMPOUND
HMDB0038097
HMDB
LMPK12010349
LIPID MAPS
Petunidin-3-O-glucoside
Wikipedia
View more database links
Registry Numbers
Types
Sources
1613022
Reaxys Registry Number
Reaxys
6988-81-4
CAS Registry Number
KEGG COMPOUND
Last Modified
08 January 2016