CHEBI:176111 - Peonidin 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 Peonidin 3-arabinoside
ChEBI ID CHEBI:176111
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H21O10.Cl
Net Charge 0
Average Mass 468.840
Monoisotopic Mass 468.08232
InChI InChI=1S/C21H20O10.ClH/c1-28-16-4-9(2-3-12(16)23)20-17(31-21-19(27)18(26)14(25)8-29-21)7-11-13(24)5-10(22)6-15(11)30-20;/h2-7,14,18-19,21,25-27H,8H2,1H3,(H2-,22,23,24);1H/t14-,18-,19+,21-;/m0./s1
InChIKey ZTQGIZPDDMLVHP-KFTCICMSSA-N
SMILES [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H](O)C1
ChEBI Ontology
Outgoing Peonidin 3-arabinoside (CHEBI:176111) is a flavonoids (CHEBI:72544)
Peonidin 3-arabinoside (CHEBI:176111) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual Xref Database
52083811 ChemSpider
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Registry Number Type Source
524943-91-7 CAS Registry Number ChemIDplus