CHEBI:169250 - Cyanidin 7-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 7-glucoside
ChEBI ID CHEBI:169250
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21O11
Net Charge +1
Average Mass 449.387
Monoisotopic Mass 449.10784
InChI InChI=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
InChIKey WCZDQPXNBJTKPI-UHFFFAOYSA-O
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C3[O+]=C(C(O)=CC3=C(O)C2)C4=CC(O)=C(O)C=C4)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0037978 HMDB
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