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CHEBI:168391 - Cyanidin 3-(6''-acetyl-galactoside)

Default Structure
ChEBI IDCHEBI:168391
ChEBI NameCyanidin 3-(6''-acetyl-galactoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23O12
Net Charge+1
Average Mass491.425
Monoisotopic Mass491.11840
SMILESCC(=O)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
InChIInChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1
InChIKeyHBXXDBKJLPLXPR-DLBZZEGUSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-(6''-acetyl-galactoside) (CHEBI:168391) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
30776739ChemSpider
HMDB0029236HMDB