CHEBI:77857 - cyanidin 3-O-β-D-glucoside(1−)

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ChEBI Name cyanidin 3-O-β-D-glucoside(1−)
ChEBI ID CHEBI:77857
ChEBI ASCII Name cyanidin 3-O-beta-D-glucoside(1-)
Definition An organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-β-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C21H19O11
Net Charge -1
Average Mass 447.36950
Monoisotopic Mass 447.09329
InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p-1/t16-,17-,18+,19-,21-/m1/s1
InChIKey RKWHWFONKJEUEF-GQUPQBGVSA-M
SMILES OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing cyanidin 3-O-β-D-glucoside(1−) (CHEBI:77857) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-β-D-glucoside(1−) (CHEBI:77857) is a organic anion (CHEBI:25696)
cyanidin 3-O-β-D-glucoside(1−) (CHEBI:77857) is conjugate base of cyanidin 3-O-β-D-glucoside betaine (CHEBI:61318)
Incoming cyanidin 3-O-β-D-glucoside betaine (CHEBI:61318) is conjugate acid of cyanidin 3-O-β-D-glucoside(1−) (CHEBI:77857)
IUPAC Name
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)chromenium-5,7-diolate
Synonym Source
cyanidin 3-O-β-D-glucoside UniProt
Last Modified
28 February 2024