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CHEBI:196639 - Coreopsin

ChEBI IDCHEBI:196639
ChEBI NameCoreopsin
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FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-11-3-4-12(15(25)8-11)13(23)5-1-10-2-6-14(24)16(26)7-10/h1-8,17-22,24-29H,9H2/b5-1+/t17-,18-,19+,20-,21-/m1/s1
InChIKeyQMVODIKHHIRSGI-RWGOFXMDSA-N
ChEBI Ontology
Outgoing Relation(s)
Coreopsin (CHEBI:196639) is a flavonoids (CHEBI:72544)
Coreopsin (CHEBI:196639) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
58837424ChemSpider