CHEBI:28527 - rutin

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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
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Formula C27H30O16
Net Charge 0
Average Mass 610.51750
Monoisotopic Mass 610.153
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](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(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-4H-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
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 Waiting for Citations Types Sources
15601236 PubMed citation Europe PMC
20701244 PubMed citation Europe PMC
Last Modified
22 February 2017