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tetrahydroalstonine

Properties

Image

Occurences in reactions

MNX_ID

MNXM13004

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₂₅N₂O₃

charge

mass

353.18597

reference

chebi:142526

InChIKey

GRTOGORTSDXSFK-DLLGKBFGSA-O

InChI

InChI=1S/C21H24N2O3/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/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/p+1/t12-,15-,16-,19-/m0/s1

SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2C[NH+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142526 chebi:142526	tetrahydroalstonine (19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-16,17-didehydro-18-oxayohimban-4-ium tetrahydroalstonine(1+)
seed.compound:cpd08493 seedM:cpd08493 kegg.compound:C11682 keggC:C11682	Tetrahydroalstonine
CHEBI:9479 chebi:9479	tetrahydroalstonine methyl (19alpha,20alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate methyl (20alpha)-16,17-didehydro-19alpha-methyl-18-oxayohimban-16-carboxylate
keggC:M_C11682 seedM:M_cpd08493	secondary/obsolete/fantasy identifier