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(S)-N-methylcanadine

MNXM2450 is deprecated and here replaced by MNXM732956
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732956

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₂₁H₂₄NO₄

charge

mass

354.16998

reference

chebi:16512

InChIKey

IPABSWBNWMXCHM-LBOXEOMUSA-N

InChI

InChI=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

SMILES

COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16512 chebi:16512	(S)-N-methylcanadine (13aS)-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolinium (S)-N-Methylcanadine
kegg.compound:C02915 keggC:C02915	(S)-N-Methylcanadine
seed.compound:cpd01863 seedM:cpd01863	(S)-N-Methylcanadine (S)-N-methylcanadine (S)-cis-N-Methylcanadine (S)-n-methylcanadine
metacyc.compound:S-N-METHYLCANADINE metacycM:S-N-METHYLCANADINE	(S)-N-methylcanadine
chebi:12414 chebi:15869 chebi:18767 chebi:429 keggC:M_C02915 seedM:M_cpd01863	secondary/obsolete/fantasy identifier