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(R)-canadine

PropertiesImage
MNX_IDMNXM4202 Image of MNXM4202
referencechebi:18146
formulaC20H21NO4
global charge0
mol weight339.391
InChIKeyVZTUIEROBZXUFA-MRXNPFEDSA-N
InChIInChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1
SMILESCOC1=CC=C2C[C@@H]3C4=CC5=C(C=C4CCN3CC2=C1OC)OCO5
MNX internals
InChI (mnx)InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1 Image of MNXM4202
SMILES (mnx)[CH3:1][O:22][C:17]1=[C:20]([O:23][CH3:2])[C:15]2=[C:12]([CH:3]=[CH:4]1)[CH2:7][C@@H:16]1[C:14]3=[CH:9][C:19]4=[C:18]([CH:8]=[C:13]3[CH2:5][CH2:6][N:21]1[CH2:10]2)[O:24][CH2:11][O:25]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18146
chebi:18146
VZTUIEROBZXUFA-MRXNPFEDSA-N 		(R)-canadine
(13aR)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
(R)-Canadine

kegg.compound:C11818
keggC:C11818
VZTUIEROBZXUFA-MRXNPFEDSA-N 		(R)-Canadine

seed.compound:cpd08622
seedM:cpd08622
VZTUIEROBZXUFA-MRXNPFEDSA-N 		(R)-Canadine
(R)-canadine

metacyc.compound:R-CANADINE
metacycM:R-CANADINE
VZTUIEROBZXUFA-MRXNPFEDSA-N 		(R)-canadine

chebi:10998
chebi:337
keggC:M_C11818
seedM:M_cpd08622 		secondary/obsolete/fantasy identifier