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16-methoxytabersonine

Properties

Image

Occurences in reactions

MNX_ID

MNXM2460

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₂H₂₇N₂O₃

charge

mass

367.20162

reference

chebi:58930

InChIKey

AEXBRBWRPNGGEZ-FKBYEOEOSA-O

InChI

InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/p+1/t20-,21-,22-/m0/s1

SMILES

CC[C@]12C=CC[NH+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)ccc14)[C@@H]32

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58930 chebi:58930	16-methoxytabersonine 16-methoxytabersoninium cation 16-methoxytabersoninium(1+) methyl 16-methoxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidin-9-ium-3-carboxylate
kegg.compound:C11675 keggC:C11675	16-Methoxytabersonine
seed.compound:cpd08486 seedM:cpd08486	16-Methoxytabersonine 16-methoxytabersonine
metacyc.compound:CPD-7164 metacycM:CPD-7164	16-methoxytabersonine
CHEBI:769 chebi:769	16-methoxytabersonine 16-Methoxytabersonine methyl 16-methoxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate
keggC:M_C11675 seedM:M_cpd08486	secondary/obsolete/fantasy identifier