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CHEBI:141117 - fluctuadin

ChEBI IDCHEBI:141117
ChEBI Namefluctuadin
Stars
Last Modified21 June 2018
Submittermwilliams
DownloadsMolfile
FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILES[H][C@]12O[C@]1(C)CC/C=C(/C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(=O)C(=C)C)[C@]1([H])C(=C)C(=O)O[C@]21[H]
InChIInChI=1S/C22H26O9/c1-10(2)19(24)29-16-14-11(3)20(25)30-17(14)18-22(5,31-18)9-7-8-13(21(26)27-6)15(16)28-12(4)23/h8,14-18H,1,3,7,9H2,2,4-6H3/b13-8+/t14-,15+,16+,17-,18+,22+/m0/s1
InChIKeyLJKGHMJIYVXYAL-MCCHQBFUSA-N
ChEBI Ontology
Outgoing Relation(s)
fluctuadin (CHEBI:141117) is a sesquiterpene lactone (CHEBI:37667)
Manual XrefsDatabases
C00011879KNApSAcK