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16-hydroxytabersonine

MNXM731585 is deprecated and replaced by MNXM731584

Properties

Image

Occurences in reactions

MNX_ID

MNXM731584

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₁H₂₅N₂O₃

charge

mass

353.18597

reference

chebi:58239

InChIKey

FXUFRJQCBVSCRZ-ACRUOGEOSA-O

InChI

InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/p+1/t19-,20-,21-/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58239 chebi:58239	16-hydroxytabersonine (5alpha,9beta,12beta,19alpha)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium 16-hydroxytabersoninium 16-hydroxytabersoninium cation 16-hydroxytabersoninium(1+)
sabiork.compound:13703 sabiorkM:13703 kegg.compound:C11643 keggC:C11643	16-Hydroxytabersonine
seed.compound:cpd08454 seedM:cpd08454	16-Hydroxytabersonine 16-hydroxytabersonine
metacyc.compound:16-HYDROXYTABERSONINE metacycM:16-HYDROXYTABERSONINE	16-hydroxytabersonine
CHEBI:17699 chebi:17699	16-hydroxytabersonine 16-Hydroxytabersonine methyl 16-hydroxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate
chebi:11330 chebi:767 keggC:M_C11643 seedM:M_cpd08454	secondary/obsolete/fantasy identifier