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CHEBI:176020 - Scorzoside

ChEBI IDCHEBI:176020
ChEBI NameScorzoside
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FormulaC21H30O8
Net Charge0
Average Mass410.463
Monoisotopic Mass410.19407
SMILES[H][C@]12OC(=O)[C@@H](C)[C@]1([H])C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=C)[C@]1([H])CCC(=C)[C@]21[H]
InChIInChI=1S/C21H30O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKeyRCMFOCNCKTYXQN-XSDXADJRSA-N
ChEBI Ontology
Outgoing Relation(s)
Scorzoside (CHEBI:176020) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3S,3aS,5R,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]uran-2-one
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