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CHEBI:232340 - methyllycaconitine citrate

ChEBI IDCHEBI:232340
ChEBI Namemethyllycaconitine citrate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC37H50N2O10.C6H8O7
Net Charge0
Average Mass874.934
Monoisotopic Mass874.37355
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[H]C12N(CC)C[C@]3(COC(=O)c4ccccc4N4C(=O)C[C@]([H])(C)C4=O)CC[C@]([H])(OC)[C@]14[C@]1([H])C[C@@]5([H])[C@]([H])(OC)[C@]1([H])[C@](O)(C[C@]5([H])OC)[C@@]2(O)[C@@]([H])(OC)[C@]34[H]
InChIInChI=1S/C37H50N2O10.C6H8O7/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36-,37+;/m0./s1
InChIKeyINBLZNJHDLEWPS-DDIMIZGISA-N
ChEBI Ontology
Outgoing Relation(s)
methyllycaconitine citrate (CHEBI:232340) is a nicotinic antagonist (CHEBI:48878)
Registry NumbersSources
CAS:112825-05-5SUBMITTER