Preferred Name |
rutin |
|
Synonyms |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Rutin 3-Rutinosyl quercetin 3-Rhamnoglucosylquercetin Quercetin-3-rutinoside Quercetin 3-rutinoside 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one Phytomelin Rutoside |
|
Definitions |
A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_28527 |
|
charge |
0 |
|
database_cross_reference |
Wikipedia:Rutin LINCS:LSM-2457 DrugBank:DB01698 KEGG:D00190 Drug_Central:3535 PMID:33917795 PMID:30307940 Beilstein:75455 PMID:14979715 PMID:20701244 Reaxys:75455 PMID:31382673 KEGG:C05625 PDBeChem:RUT CAS:153-18-4 MetaCyc:RUTIN PMID:15601236 KEGG:D08499 KNApSAcK:C00005413 HMDB:HMDB0003249 |
|
definition |
A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. |
|
formula |
C27H30O16 |
|
has role | ||
has_alternative_id |
CHEBI:45398 CHEBI:26585 CHEBI:8923 |
|
has_exact_synonym |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Rutin |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
3-Rutinosyl quercetin 3-Rhamnoglucosylquercetin Quercetin-3-rutinoside Quercetin 3-rutinoside 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one Phytomelin Rutoside |
|
has_RxCUI |
9500 |
|
id |
CHEBI:28527 |
|
in_subset | ||
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 |
|
label |
Rutin rutin |
|
mass |
610.521 |
|
monoisotopicmass |
610.15338 |
|
notation |
CHEBI:28527 |
|
prefLabel |
rutin |
|
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 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38684 http://purl.obolibrary.org/obo/CHEBI_64621 |