CHEBI:16596 - cyanidin 3-O-rutinoside 5-O-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-rutinoside 5-O-β-D-glucoside
ChEBI ID CHEBI:16596
ChEBI ASCII Name cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
Definition An anthocyanin cation that is cyanidin in which the hydroxyl hydrogens at positions 3 and 5 are replaced by rutinosyl and glucosyl residues respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3977, CHEBI:23432, CHEBI:14040, CHEBI:31443
Supplier Information
Download Molfile XML SDF
Formula C33H41O20
Net Charge +1
Average Mass 757.66610
Monoisotopic Mass 757.21857
InChI InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChIKey DFJZNAHUOVEDQB-HWKLKBEVSA-O
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)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 5-O-β-D-glucoside (CHEBI:16596) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:16596) is a 5-hydroxyanthocyanin O-β-D-glucoside (CHEBI:140278)
cyanidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:16596) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:16596) is a disaccharide derivative (CHEBI:63353)
cyanidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:16596) is a rutinoside (CHEBI:26587)
cyanidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:16596) is conjugate acid of cyanidin 3-O-rutinoside 5-O-β-D-glucoside betaine (CHEBI:57830)
Incoming cyanidin 3-O-rutinoside 5-O-β-D-glucoside betaine (CHEBI:57830) is conjugate base of cyanidin 3-O-rutinoside 5-O-β-D-glucoside (CHEBI:16596)
IUPAC Name
3-[6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl β-D-glucopyranoside
Synonyms Sources
3-[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl β-D-glucopyranoside IUPAC
Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside KEGG COMPOUND
Manual Xrefs Databases
C12646 KEGG COMPOUND
CPD-15002 MetaCyc
View more database links
Registry Numbers Types Sources
135558-26-8 CAS Registry Number KEGG COMPOUND
62024-14-0 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014