CHEBI:141642 - (13S,14R)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine

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ChEBI Name (13S,14R)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine ChEBI ID CHEBI:141642 ChEBI ASCII Name (13S,14R)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine Definition A quaternary ammonium ion that is (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine which carries a hydroxy group at position 8. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H26NO8 Net Charge +1 Average Mass 444.455 Monoisotopic Mass 444.16529 InChI InChI=1S/C23H25NO8/c1-11(25)32-20-13-5-6-14(28-3)21(29-4)17(13)23(27)24(2)8-7-12-9-15-22(31-10-30-15)19(26)16(12)18(20)24/h5-6,9,18,20,23,27H,7-8,10H2,1-4H3/p+1/t18-,20+,23?,24?/m1/s1 InChIKey ZMVJJIWEZXWPAJ-DIOGXUQJSA-O SMILES C1=C2CC[N+]3(C(C4=C([C@@H]([C@]3(C2=C(C=5OCOC15)O)[H])OC(C)=O)C=CC(=C4OC)OC)O)C ChEBI Ontology Outgoing (13S,14R)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine (CHEBI:141642) has functional parent (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine (CHEBI:141640) (13S,14R)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine (CHEBI:141642) is a quaternary ammonium ion (CHEBI:35267) IUPAC Name (13S,13aR)-13-acetoxy-8,14-dihydroxy-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium Synonym Source (13S,14R)-13-O-acetyl-1,8-dihydroxy-N-methylcanadine UniProt Manual Xrefs Databases C00051965 KNApSAcK C21589 KEGG COMPOUND CPD-14830 MetaCyc WO2015021561 Patent View more database links Citations Types Sources 25485687 PubMed citation SUBMITTER 25583437 PubMed citation Europe PMC Last Modified 13 December 2018