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(S)-cis-N-methylcanadine

MNXM2450 is deprecated and here replaced by MNXM732956
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732956 Image of MNXM732956
referencechebi:50540
formulaC21H24NO4
global charge1
mol weight354.426
InChIKeyIPABSWBNWMXCHM-JTSKRJEESA-N
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
SMILESCOC1=CC=C2C[C@H]3C4=CC5=C(C=C4CC[N@@+]3(C)CC2=C1OC)OCO5
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM732956
SMILES (mnx)[CH3:1][N@@+:22]12[CH2:7][CH2:6][C:14]3=[CH:9][C:19]4=[C:20]([CH:10]=[C:15]3[C@@H:17]1[CH2:8][C:13]1=[C:16]([CH2:11]2)[C:21]([O:24][CH3:3])=[C:18]([O:23][CH3:2])[CH:5]=[CH:4]1)[O:26][CH2:12][O:25]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50540
chebi:50540
IPABSWBNWMXCHM-JTSKRJEESA-N 		(S)-cis-N-methylcanadine
(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

seed.compound:cpd01863
seedM:cpd01863
IPABSWBNWMXCHM-LBOXEOMUSA-N 		(S)-N-Methylcanadine
(S)-N-methylcanadine
(S)-cis-N-Methylcanadine
(S)-n-methylcanadine

CHEBI:16512
chebi:16512
IPABSWBNWMXCHM-LBOXEOMUSA-N 		(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
IPABSWBNWMXCHM-JTSKRJEESA-N 		(S)-cis-N-Methylcanadine

metacyc.compound:S-N-METHYLCANADINE
metacycM:S-N-METHYLCANADINE
IPABSWBNWMXCHM-JTSKRJEESA-N 		(S)-cis-N-methylcanadine

chebi:12414
chebi:15869
chebi:18767
chebi:429
keggC:M_C02915
seedM:M_cpd01863 		secondary/obsolete/fantasy identifier