loading...| Preferred Name |
rutin |
|
| Synonyms |
Rutin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 3-Rhamnoglucosylquercetin Quercetin 3-rutinoside Phytomelin Rutoside 3-Rutinosyl quercetin 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 |
|
| 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 |
LINCS:LSM-2457 DrugBank:DB01698 PDBeChem:RUT Reaxys:75455 PMID:33917795 PMID:15601236 Wikipedia:Rutin PMID:31382673 KEGG:C05625 PMID:30307940 Beilstein:75455 Drug_Central:3535 KNApSAcK:C00005413 CAS:153-18-4 KEGG:D08499 PMID:14979715 HMDB:HMDB0003249 MetaCyc:RUTIN PMID:20701244 KEGG:D00190 |
|
| 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 |
Rutin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-Rhamnoglucosylquercetin Quercetin 3-rutinoside Phytomelin Rutoside 3-Rutinosyl quercetin 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 |
|
| 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 |
|
| 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 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38684 http://purl.obolibrary.org/obo/CHEBI_64621 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38684 http://purl.obolibrary.org/obo/CHEBI_64621 |