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CHEBI:196634 - Isocoreopsin

ChEBI IDCHEBI:196634
ChEBI NameIsocoreopsin
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FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc21
InChIInChI=1S/C21H22O10/c22-8-17-18(26)19(27)20(28)21(31-17)29-10-2-3-11-13(24)7-15(30-16(11)6-10)9-1-4-12(23)14(25)5-9/h1-6,15,17-23,25-28H,7-8H2/t15-,17+,18+,19-,20+,21+/m0/s1
InChIKeyAWENDZQUFCJISN-ZRWXNEIDSA-N
ChEBI Ontology
Outgoing Relation(s)
Isocoreopsin (CHEBI:196634) is a flavonoids (CHEBI:72544)
Isocoreopsin (CHEBI:196634) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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167590ChemSpider