CHEBI:16726 - cyanidin 3-O-rutinoside chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways
ChEBI Name cyanidin 3-O-rutinoside chloride
ChEBI ID CHEBI:16726
ChEBI ASCII Name cyanidin 3-O-rutinoside chloride
Definition A member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3976, CHEBI:14039, CHEBI:23431
Supplier Information
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Formula C27H31ClO15
Net Charge 0
Average Mass 630.97900
InChI InChI=1S/C27H30O15.ClH/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);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
InChIKey ADZHXBNWNZIHIX-XYGAWYNKSA-N
SMILES [Cl-].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 chloride (CHEBI:16726) has part cyanidin 3-O-rutinoside (CHEBI:28064)
cyanidin 3-O-rutinoside chloride (CHEBI:16726) is a anthocyanin chlorides (CHEBI:38698)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside chloride
Synonyms Sources
Antirrhinin ChemIDplus
Cyanidin 3-rutinoside KEGG COMPOUND
Cyanidin-3-rhamnoglucoside chloride ChemIDplus
Cyanidin-3-rhamnoglucoside chloride KEGG COMPOUND
Keracyanin KEGG COMPOUND
Prunicyanin ChemIDplus
Sambucin ChemIDplus
Database Links Databases
C00002376 KNApSAcK
C04491 KEGG COMPOUND
D08097 KEGG DRUG
View more database links
Registry Number Type Source
18719-76-1 CAS Registry Number ChemIDplus
Last Modified
28 July 2014