bendacalol mesylate (CHEBI:750988)

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CHEBI:750988 - bendacalol mesylate

Formula	C20H23NO6.CH4O3S
Net Charge	0
Average Mass	469.512
Monoisotopic Mass	469.14065
SMILES	CS(=O)(=O)O.[H][C@]1([C@@H](O)CNC[C@@H](O)[C@]2([H])COc3ccccc3O2)COc2ccccc2O1
InChI	InChI=1S/C20H23NO6.CH4O3S/c22-13(19-11-24-15-5-1-3-7-17(15)26-19)9-21-10-14(23)20-12-25-16-6-2-4-8-18(16)27-20;1-5(2,3)4/h1-8,13-14,19-23H,9-12H2;1H3,(H,2,3,4)/t13-,14+,19+,20-;
InChIKey	TWESTNYMJIMXRF-AIMMJYJASA-N

ChEBI Ontology

Outgoing Relation(s)
	bendacalol mesylate (CHEBI:750988) is a benzodioxine (CHEBI:64096)