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CHEBI:50540 - (S)-cis-N-methylcanadine

ChEBI IDCHEBI:50540
ChEBI Name(S)-cis-N-methylcanadine
Stars
ASCII Name(S)-cis-N-methylcanadine
Last Modified4 October 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H24NO4
Net Charge+1
Average Mass354.426
Monoisotopic Mass354.16998
SMILES[H][C@@]12Cc3ccc(OC)c(OC)c3C[N@+]1(C)CCc1cc3c(cc12)OCO3
InChIInChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22-/m0/s1
InChIKeyIPABSWBNWMXCHM-JTSKRJEESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(S)-cis-N-methylcanadine (CHEBI:50540) is a (S)-N-methylcanadine (CHEBI:16512)
(S)-cis-N-methylcanadine (CHEBI:50540) is a an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine (CHEBI:194529)
IUPAC Name 
(7S,13aS)-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium
UniProt Name  Source
(S)-cis-N-methylcanadineUniProt
Registry NumbersSources
Beilstein:4239338Beilstein