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(S)-canadine

PropertiesImage
MNX_IDMNXM1610 Image of MNXM1610
referencechebi:16592
formulaC20H21NO4
global charge0
mol weight339.391
InChIKeyVZTUIEROBZXUFA-INIZCTEOSA-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-/m0/s1
SMILESCOc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4
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-/m0/s1 Image of MNXM1610
SMILES (mnx)[cH:1]1[c:3]2[c:4]([cH:2][c:13]3[c:14]1[CH2:18][CH2:15][CH2:19]3)[C@@H:17]1[CH2:7][C:9]3=[CH:11][CH:12]=[N:21]([O:22][OH:23])[C:20]([O:24][OH:25])=[C:10]3[CH2:8][CH:16]1[CH2:6][CH2:5]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16592
chebi:16592
VZTUIEROBZXUFA-INIZCTEOSA-N 		(S)-canadine
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine
(13aS)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
(S)-Canadine
(S)-Tetrahydroberberine
canadine l-form

seed.compound:cpd02117
seedM:cpd02117
VZTUIEROBZXUFA-INIZCTEOSA-N 		(S)-Canadine
(-)-Canadine
(13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3- benzodioxolo[5,6-a]quinolizine
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine
(S)-Tetrahydroberberine
(S)-canadine
(S)-tetrahydroberberine
S-canadine

kegg.compound:C03329
keggC:C03329
VZTUIEROBZXUFA-INIZCTEOSA-N 		(S)-Canadine
(-)-Canadine
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine
(S)-Tetrahydroberberine

sabiork.compound:6555
sabiorkM:6555
VZTUIEROBZXUFA-INIZCTEOSA-N 		(S)-Canadine
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3- benzodioxolo[5,6-a]quinolizine
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine
(S)-Tetrahydroberberine
(S)-Tetrahydroprotoberberine

vmhM:thberbn
vmhM:thberbn
vmhmetabolite:thberbn
vmhmetabolite:thberbn
VZTUIEROBZXUFA-INIZCTEOSA-N 		(S)-Tetrahydroberberine

metacyc.compound:S-TETRAHYDROBERBERINE
metacycM:S-TETRAHYDROBERBERINE
VZTUIEROBZXUFA-INIZCTEOSA-N 		(S)-canadine
(13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine
(S)-tetrahydroberberine

chebi:11059
chebi:11074
chebi:18773
chebi:413
keggC:M_C03329
seedM:M_cpd02117
vmhM:M_thberbn 		secondary/obsolete/fantasy identifier