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alstonine

Properties

Image

Occurences in reactions

MNX_ID

MNXM491419

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₁H₂₁N₂O₃

charge

mass

349.15467

reference

chebi:142530

InChIKey

WYTGDNHDOZPMIW-RCBQFDQVSA-O

InChI

InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1/t12-,15-,16-/m0/s1

SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142530 chebi:142530	alstonine (19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium alstonine(1+)
seed.compound:cpd05924 seedM:cpd05924 kegg.compound:C09028 keggC:C09028	Alstonine
CHEBI:2612 chebi:2612	alstonine (19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium-1-ide 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19alpha-methyl-20alpha-oxayohimbanium alstonin
keggC:M_C09028 seedM:M_cpd05924	secondary/obsolete/fantasy identifier