CHEBI:189578 - cyanidin 3-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cyanidin 3-glucoside
ChEBI ID CHEBI:189578
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21O11.Cl
Net Charge 0
Average Mass 484.840
Monoisotopic Mass 484.07724
InChI InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H
InChIKey YTMNONATNXDQJF-UHFFFAOYSA-N
SMILES [Cl-].O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine (NCIT:C66822). See: MetaboLights Study
ChEBI Ontology
Outgoing cyanidin 3-glucoside (CHEBI:189578) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
Manual Xref Database
10716851 ChemSpider
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