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Ontologies
CDNO
Last submission date
November 13, 2024
| ID | http://purl.obolibrary.org/obo/CHEBI_28527
http://purl.obolibrary.org/obo/CHEBI_28527
https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_28527
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| 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
3-Rutinosyl quercetin
Phytomelin
Quercetin 3-rutinoside
Quercetin-3-rutinoside
Rutoside
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
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| Definitions |
A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups.
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Raw data
| rdf:type | |
|---|---|
| rdfs:subClassOf | |
| rdfs:label | rutin
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| skos:notation | CHEBI:28527
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| obo_purl:IAO_0000115 | A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups.
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| oboinowl_gen:hasExactSynonym | Rutin
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
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| oboinowl_gen:hasDbXref | Beilstein:75455
CAS:153-18-4
DrugBank:DB01698
Drug_Central:3535
HMDB:HMDB0003249
KEGG:C05625
KEGG:D00190
KEGG:D08499
KNApSAcK:C00005413
LINCS:LSM-2457
MetaCyc:RUTIN
PDBeChem:RUT
PMID:14979715
PMID:15601236
PMID:20701244
PMID:30307940
PMID:31382673
PMID:33917795
Reaxys:75455
Wikipedia:Rutin
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| oboinowl_gen:hasOBONamespace | chebi_ontology
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| oboinowl_gen:id | CHEBI:28527
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| oboinowl_gen:inSubset | |
| oboinowl_gen:hasRelatedSynonym | 3-Rhamnoglucosylquercetin
3-Rutinosyl quercetin
Phytomelin
Quercetin 3-rutinoside
Quercetin-3-rutinoside
Rutoside
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
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| oboinowl_gen:hasAlternativeId | CHEBI:26585
CHEBI:45398
CHEBI:8923
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| obo_purl:charge | 0
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| obo_purl:formula | C27H30O16
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| obo_purl: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
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| obo_purl:inchikey | IKGXIBQEEMLURG-NVPNHPEKSA-N
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| obo_purl:mass | 610.521
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| obo_purl:monoisotopicmass | 610.15338
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| obo_purl: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
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