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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:28527 - rutin
Main
ChEBI Ontology
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ChEBI Name
rutin
ChEBI ID
CHEBI:28527
Definition
A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:45398, CHEBI:8923, CHEBI:26585
Supplier Information
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Molfile
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Wikipedia
License
Read full article at Wikipedia
Formula
C27H30O16
Net Charge
0
Average Mass
610.521
Monoisotopic Mass
610.15338
InChI
InChI=1S/C27H30O16/c1-
8-
17(32)
20(35)
22(37)
26(40-
8)
39-
7-
15-
18(33)
21(36)
23(38)
27(42-
15)
43-
25-
19(34)
16-
13(31)
5-
10(28)
6-
14(16)
41-
24(25)
9-
2-
3-
11(29)
12(30)
4-
9/h2-
6,8,15,17-
18,20-
23,26-
33,35-
38H,7H2,1H3/t8-
,15+,17-
,18+,20+,21-
,22+,23+,26+,27-
/m0/s1
InChIKey
IKGXIBQEEMLURG-NVPNHPEKSA-N
SMILES
C[C@@H]
1O[C@@H]
(OC[C@H]
2O[C@@H]
(OC3=C(OC4=C(C(O)
=CC(O)
=C4)
C3=O)
C3=CC=C(O)
C(O)
=C3)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
2O)
[C@H]
(O)
[C@H]
(O)
[C@H]
1O
Metabolite of Species
Details
Physalis longifolia
(NCBI:txid161495)
Found in aerial part
(BTO:0001658)
. CH2Cl2-MeOH(1:1) extract of the air-dried aerial parts See:
PubMed
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
rutin (
CHEBI:28527
)
has role
antioxidant (
CHEBI:22586
)
rutin (
CHEBI:28527
)
has role
metabolite (
CHEBI:25212
)
rutin (
CHEBI:28527
)
is a
disaccharide derivative (
CHEBI:63353
)
rutin (
CHEBI:28527
)
is a
quercetin
O
-glucoside (
CHEBI:64621
)
rutin (
CHEBI:28527
)
is a
rutinoside (
CHEBI:26587
)
rutin (
CHEBI:28527
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
IUPAC Name
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
chromen-
3-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
3-
[[6-
O-
(6-
Deoxy-
alpha-
L-
mannopyranosyl)-
beta-
D-
glucopyranosyl]oxy]-
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4H-
1-
benzopyran-
4-
one
KEGG COMPOUND
3-Rhamnoglucosylquercetin
ChemIDplus
3-Rutinosyl quercetin
ChemIDplus
Phytomelin
KEGG COMPOUND
Quercetin 3-rutinoside
KEGG COMPOUND
Quercetin-3-rutinoside
KEGG COMPOUND
Rutin
KEGG COMPOUND
Rutoside
KEGG COMPOUND
Manual Xrefs
Databases
3535
DrugCentral
C00005413
KNApSAcK
C05625
KEGG COMPOUND
D00190
KEGG DRUG
D08499
KEGG DRUG
DB01698
DrugBank
HMDB0003249
HMDB
LSM-2457
LINCS
RUT
PDBeChem
Rutin
Wikipedia
RUTIN
MetaCyc
View more database links
Registry Numbers
Types
Sources
153-18-4
CAS Registry Number
KEGG COMPOUND
153-18-4
CAS Registry Number
ChemIDplus
75455
Reaxys Registry Number
Reaxys
75455
Beilstein Registry Number
Beilstein
Citations
Types
Sources
14979715
PubMed citation
Europe PMC
15601236
PubMed citation
Europe PMC
20701244
PubMed citation
Europe PMC
30307940
PubMed citation
Europe PMC
31382673
PubMed citation
Europe PMC
33917795
PubMed citation
Europe PMC
Last Modified
28 May 2021