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CHEBI:176114 - Isopeonidin 3-arabinoside

Default Structure
ChEBI IDCHEBI:176114
ChEBI NameIsopeonidin 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O10
Net Charge+1
Average Mass433.389
Monoisotopic Mass433.11292
SMILESCOc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1O
InChIInChI=1S/C21H20O10/c1-28-14-3-2-9(4-13(14)25)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-12(24)5-10(23)6-15(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18-,19+,21+/m1/s1
InChIKeyFXNWBJIHSLHFRS-BNDYYXHWSA-O
ChEBI Ontology
Outgoing Relation(s)
Isopeonidin 3-arabinoside (CHEBI:176114) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3-hydroxy-4-methoxyphenyl)chromenylium-5,7-diol
Manual XrefsDatabases
30777636ChemSpider
HMDB0041750HMDB