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> Main
CHEBI:131498 - quercetin 3,4'-di-
O
-β-
D
-glucoside
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ChEBI Ontology
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ChEBI Name
quercetin 3,4'-di-
O
-β-
D
-glucoside
ChEBI ID
CHEBI:131498
ChEBI ASCII Name
quercetin 3,4'-di-O-beta-D-glucoside
Definition
A quercetin
O
-glucoside that is quercetin with two β-
D
-glucosyl residues attached at positions 3 and 4'.
Stars
This entity has been manually annotated by the ChEBI Team.
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Wikipedia
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Read full article at Wikipedia
Formula
C27H30O17
Net Charge
0
Average Mass
626.518
Monoisotopic Mass
626.14830
InChI
InChI=1S/C27H30O17/c28-
6-
14-
17(33)
20(36)
22(38)
26(42-
14)
41-
12-
2-
1-
8(3-
10(12)
31)
24-
25(19(35)
16-
11(32)
4-
9(30)
5-
13(16)
40-
24)
44-
27-
23(39)
21(37)
18(34)
15(7-
29)
43-
27/h1-
5,14-
15,17-
18,20-
23,26-
34,36-
39H,6-
7H2/t14-
,15-
,17-
,18-
,20+,21+,22-
,23-
,26-
,27+/m1/s1
InChIKey
RPVIQWDFJPYNJM-DEFKTLOSSA-N
SMILES
C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)
O)
O)
=O)
O[C@H]
4[C@@H]
([C@H]
([C@@H]
([C@@H]
(CO)
O4)
O)
O)
O)
O)
O[C@H]
5[C@@H]
([C@H]
([C@@H]
([C@@H]
(CO)
O5)
O)
O)
O
Metabolite of Species
Details
Solanum lycopersicum
(NCBI:txid4081)
See:
MetaboLights Study
Allium cepa
(NCBI:txid4679)
See:
PubMed
Solanum habrochaites
(NCBI:txid62890)
See:
MetaboLights Study
Roles Classification
Chemical Role
(s):
radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
has role
cardioprotective agent (
CHEBI:77307
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
has role
plant metabolite (
CHEBI:76924
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
has role
radical scavenger (
CHEBI:48578
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
is a
β-
D
-glucoside (
CHEBI:22798
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
is a
monosaccharide derivative (
CHEBI:63367
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
is a
polyphenol (
CHEBI:26195
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
is a
quercetin
O
-glucoside (
CHEBI:64621
)
quercetin 3,4'-di-
O
-β-
D
-glucoside (
CHEBI:131498
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
4-
[3-
(β-
D
-
glucopyranosyloxy)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
1-
benzopyran-
2-
yl]-
2-
hydroxyphenyl β-
D
-
glucopyranoside
Synonyms
Sources
Quercetin 3,4'-di-O-beta-D-glucopyranoside
KNApSAcK
Quercetin 3,4'-diglucoside
LIPID MAPS
quercetin 3,4'-
O
-diglucoside
ChEBI
Manual Xrefs
Databases
4478806
ChemSpider
C00005436
KNApSAcK
CPD-14753
MetaCyc
HMDB0037363
HMDB
LMPK12112104
LIPID MAPS
Quercetin_3,4%27-diglucoside
Wikipedia
View more database links
Registry Numbers
Types
Sources
29125-80-2
CAS Registry Number
KNApSAcK
4345290
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23656415
PubMed citation
Europe PMC
25038704
PubMed citation
Europe PMC
25212303
PubMed citation
Europe PMC
IND43965226
Agricola citation
Europe PMC
IND44428178
Agricola citation
Europe PMC
Last Modified
14 November 2016