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(-)-tabersonine

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM728250

	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	0

formula

C₂₁H₂₅N₂O₂

charge

mass

337.443

reference

chebi:57893

InChIKey

FNGGIPWAZSFKCN-ACRUOGEOSA-O

InChI

InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/p+1/t19-,20-,21-/m0/s1

SMILES

[CH3:1][CH2:3][C@:20]12[CH:9]=[CH:6][CH2:11][N:23]3[CH2:12][CH2:10][C@@:21]4([c:15]5[cH:7][cH:4][cH:5][cH:8][c:16]5[NH:22][C:17]4=[C:14]([C:18](=[O:24])[O:25][CH3:2])[CH2:13]1)[C@H:19]23

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57893 chebi:57893	(-)-tabersonine methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidin-9-ium-3-carboxylate tabersonine cation tabersonine(1+) tabersoninium tabersoninium cation tabersoninium(1+)
sabiork.compound:11334 sabiorkM:11334 kegg.compound:C09244 keggC:C09244	Tabersonine
seed.compound:cpd06139 seedM:cpd06139	Tabersonine tabersonine
metacyc.compound:TABERSONINE metacycM:TABERSONINE	tabersonine
CHEBI:16776 chebi:16776	tabersonine (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic acid, methyl ester Tabersonin Tabersonine methyl (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate
chebi:15192 chebi:20636 chebi:9387 keggC:M_C09244 seedM:M_cpd06139	secondary/obsolete/fantasy identifier