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CHEBI:169250 - Cyanidin 7-glucoside

Default Structure
ChEBI IDCHEBI:169250
ChEBI NameCyanidin 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O11
Net Charge+1
Average Mass449.388
Monoisotopic Mass449.10784
SMILESOCC1OC(Oc2cc(O)c3cc(O)c(-c4ccc(O)c(O)c4)[o+]c3c2)C(O)C(O)C1O
InChIInChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
InChIKeyWCZDQPXNBJTKPI-UHFFFAOYSA-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 7-glucoside (CHEBI:169250) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0037978HMDB