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ChEBI
> Main
CHEBI:75721 - kaempferol 3-
O
-glucuronide
Main
ChEBI Ontology
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ChEBI Name
kaempferol 3-
O
-glucuronide
ChEBI ID
CHEBI:75721
ChEBI ASCII Name
kaempferol 3-O-glucuronide
Definition
A kaempferol
O
-glucuronide that is kaempferol with a β-
D
-glucosiduronic acid residue attached at the 3-position.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H18O12
Net Charge
0
Average Mass
462.36040
Monoisotopic Mass
462.07983
InChI
InChI=1S/C21H18O12/c22-
8-
3-
1-
7(2-
4-
8)
17-
18(13(25)
12-
10(24)
5-
9(23)
6-
11(12)
31-
17)
32-
21-
16(28)
14(26)
15(27)
19(33-
21)
20(29)
30/h1-
6,14-
16,19,21-
24,26-
28H,(H,29,30)
/t14-
,15-
,16+,19-
,21+/m0/s1
InChIKey
FNTJVYCFNVUBOL-ZUGPOPFOSA-N
SMILES
O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
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
kaempferol 3-
O
-glucuronide (
CHEBI:75721
)
has role
metabolite (
CHEBI:25212
)
kaempferol 3-
O
-glucuronide (
CHEBI:75721
)
is a
kaempferol
O
-glucuronide (
CHEBI:75720
)
kaempferol 3-
O
-glucuronide (
CHEBI:75721
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
5,7-
dihydroxy-
2-
(4-
hydroxyphenyl)-
4-
oxo-
4
H
-
chromen-
3-
yl β-
D
-
glucopyranosiduronic acid
Synonyms
Sources
Kaempferol 3-glucuronide
LIPID MAPS
kaempferol 3-
O
-β-
D
-glucopyranosiduronic acid
ChEBI
kaempferol 3-
O
-β-
D
-glucoronopyranoside
ChEBI
Manual Xref
Database
LMPK12111843
LIPID MAPS
View more database links
Registry Number
Type
Source
1277549
Reaxys Registry Number
Reaxys
Last Modified
23 October 2015