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CHEBI:177071 - Malvidin-3-O-beta-D-galactoside

Default Structure
ChEBI IDCHEBI:177071
ChEBI NameMalvidin-3-O-beta-D-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25O12
Net Charge+1
Average Mass493.441
Monoisotopic Mass493.13405
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20+,21-,23-/m1/s1
InChIKeyPXUQTDZNOHRWLI-XSEKTIEYSA-O
ChEBI Ontology
Outgoing Relation(s)
Malvidin-3-O-beta-D-galactoside (CHEBI:177071) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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4588440ChemSpider