cyanidin 3-O-beta-D-galactoside(1-) (CHEBI:77935)

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CHEBI:77935 - cyanidin 3-O-β-D-galactoside(1−)

ChEBI ID	CHEBI:77935
ChEBI Name	cyanidin 3-O-β-D-galactoside(1−)
Stars
ASCII Name	cyanidin 3-O-beta-D-galactoside(1-)
Definition	A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-β-D-galactoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified	10 June 2014
Submitter	KAX
Downloads	Molfile

Formula	C21H19O11
Net Charge	-1
Average Mass	447.372
Monoisotopic Mass	447.09329
SMILES	[O-]c1cc([O-])c2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1
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-WVXKDWSHSA-M

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

food component A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.

ChEBI Ontology

Outgoing Relation(s)
	cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) has role food component (CHEBI:78295)
	cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) has role plant metabolite (CHEBI:76924)
	cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) is a phenolate anion (CHEBI:50525)
	cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) is conjugate base of cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515)
Incoming Relation(s)
Incoming Relation(s)	cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515) is conjugate acid of cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935)

IUPAC Name
2-(3,4-dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)chromenium-5,7-diolate

UniProt Name	Source
cyanidin 3-O-β-D-galactoside	UniProt