CHEBI:28064 - cyanidin 3-O-rutinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-rutinoside
ChEBI ID CHEBI:28064
ChEBI ASCII Name cyanidin 3-O-rutinoside
Definition A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23430, CHEBI:3975
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Formula C27H31O15
Net Charge +1
Average Mass 595.52604
Monoisotopic Mass 595.16575
InChI InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
InChIKey USNPULRDBDVJAO-FXCAAIILSA-O
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing cyanidin 3-O-rutinoside (CHEBI:28064) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-rutinoside (CHEBI:28064) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-rutinoside (CHEBI:28064) is a benzenes (CHEBI:22712)
cyanidin 3-O-rutinoside (CHEBI:28064) is a disaccharide derivative (CHEBI:63353)
cyanidin 3-O-rutinoside (CHEBI:28064) is a rutinoside (CHEBI:26587)
cyanidin 3-O-rutinoside (CHEBI:28064) is conjugate acid of cyanidin 3-O-rutinoside betaine (CHEBI:58546)
Incoming cyanidin 3-O-rutinoside chloride (CHEBI:16726) has part cyanidin 3-O-rutinoside (CHEBI:28064)
cyanidin 3-O-rutinoside betaine (CHEBI:58546) is conjugate base of cyanidin 3-O-rutinoside (CHEBI:28064)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonyms Sources
Cyanidin 3-O-rhamnosylglucoside KEGG COMPOUND
Cyanidin 3-O-rutinoside KEGG COMPOUND
Cyanidin 3-rhamnoglucoside ChEBI
Manual Xrefs Databases
3975 DrugCentral
Antirrhinin Wikipedia
C00002376 KNApSAcK
C08620 KEGG COMPOUND
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Registry Number Type Source
1838004 Reaxys Registry Number Reaxys
Last Modified
02 May 2018