darbufelone mesylate (CHEBI:748462)

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CHEBI:748462 - darbufelone mesylate

Formula	CH4O3S.C18H24N2O2S
Net Charge	0
Average Mass	428.576
Monoisotopic Mass	428.14396
SMILES	CC(C)(C)c1cc(/C=C2\SC(=N)NC2=O)cc(C(C)(C)C)c1O.CS(=O)(=O)O
InChI	InChI=1S/C18H24N2O2S.CH4O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13;1-5(2,3)4/h7-9,21H,1-6H3,(H2,19,20,22);1H3,(H,2,3,4)/b13-9-;
InChIKey	BAZGFSKJAVQJJI-CHHCPSLASA-N

ChEBI Ontology

Outgoing Relation(s)
	darbufelone mesylate (CHEBI:748462) is a alkylbenzene (CHEBI:38976)

Citations