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CHEBI:179855 - Isookaninglucoside

ChEBI IDCHEBI:179855
ChEBI NameIsookaninglucoside
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FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(OC1OC(CO)C(O)C(O)C1O)c2O
InChIInChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2
InChIKeyDGGOLFCPSUVVHX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isookaninglucoside (CHEBI:179855) is a flavonoids (CHEBI:72544)
Isookaninglucoside (CHEBI:179855) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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