CHEBI:189019 - Cyanidin 3-arabinoside

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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-arabinoside
ChEBI ID CHEBI:189019
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H19O10.Cl
Net Charge 0
Average Mass 454.810
Monoisotopic Mass 454.06667
InChI InChI=1S/C20H18O10.ClH/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8;/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24);1H/t14-,17-,18+,20-;/m0./s1
InChIKey ORTBMTXABUAMJS-HAHUOHMJSA-N
SMILES [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H](O)C1
Metabolite of Species Details
Anopheles sinensis (NCBI:txid74873) Found in Whole Organism (THESAURUS.OWL#C13413).
ChEBI Ontology
Outgoing Cyanidin 3-arabinoside (CHEBI:189019) is a flavonoids (CHEBI:72544)
Cyanidin 3-arabinoside (CHEBI:189019) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual Xref Database
32674242 ChemSpider
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Registry Number Type Source
111613-04-8 CAS Registry Number ChemIDplus