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CHEBI:169259 - Cyanidin 3,3'-diglucoside

Default Structure
ChEBI IDCHEBI:169259
ChEBI NameCyanidin 3,3'-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31O16
Net Charge+1
Average Mass611.529
Monoisotopic Mass611.16066
SMILESOCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17?,18?,19-,20-,21+,22?,23?,24?,26-,27-/m1/s1
InChIKeyMNKUMWVPHXPSLS-DHXMCCLBSA-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 3,3'-diglucoside (CHEBI:169259) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,5S)-2-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842169ChemSpider
LMPK12010122LIPID MAPS