CHEBI:28064 - cyanidin 3-O-rutinoside

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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 595.166
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 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
Database Links Databases
3975 DrugCentral
Antirrhinin Wikipedia
C00002376 KNApSAcK
C08620 KEGG COMPOUND
View more database links
Registry Number Type Source
1838004 Reaxys Registry Number Reaxys
Last Modified
22 February 2017