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CHEBI:181497 - Grandidentoside

ChEBI IDCHEBI:181497
ChEBI NameGrandidentoside
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FormulaC21H28O10
Net Charge0
Average Mass440.445
Monoisotopic Mass440.16825
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](OC2CCCCC2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H28O10/c22-10-16-18(27)19(28)20(21(30-16)29-15-4-2-1-3-13(15)24)31-17(26)8-6-11-5-7-12(23)14(25)9-11/h5-9,13,15-16,18-25,27-28H,1-4,10H2/b8-6+/t13?,15?,16-,18-,19+,20-,21-/m1/s1
InChIKeyGYBMMZYCUFIKJQ-NHCPJIJJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Grandidentoside (CHEBI:181497) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(2-hydroxycyclohexyl)oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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