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CHEBI:169290 - 6-Hydroxycyanidin 3-glucoside

Default Structure
ChEBI IDCHEBI:169290
ChEBI Name6-Hydroxycyanidin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O12
Net Charge+1
Average Mass465.387
Monoisotopic Mass465.10275
SMILESOCC1O[C@@H](Oc2cc3c(O)c(O)c(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H20O12/c22-6-14-17(28)18(29)19(30)21(33-14)32-13-4-8-12(5-11(25)16(27)15(8)26)31-20(13)7-1-2-9(23)10(24)3-7/h1-5,14,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t14?,17-,18?,19?,21-/m1/s1
InChIKeyWCDLLXMXLHQESZ-XYLOOGEKSA-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)
6-Hydroxycyanidin 3-glucoside (CHEBI:169290) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5,6,7-triol
Manual XrefsDatabases
24842469ChemSpider
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