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deacetoxyvindoline

Properties

Image

Occurences in reactions

MNX_ID

MNXM1920

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₃H₃₁N₂O₄

charge

mass

399.22783

reference

chebi:57965

InChIKey

WNKDGPXNFMMOEJ-RNJSZURPSA-O

InChI

InChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/p+1/t18-,19+,21-,22+,23+/m0/s1

SMILES

CC[C@]12C=CC[NH+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57965 chebi:57965	deacetoxyvindoline (2beta,3beta,5alpha,12beta,19alpha)-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium deacetoxyvindolinium cation deacetoxyvindolinium(1+) methyl 3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-ium-3alpha-carboxylate
seed.compound:cpd01736 seedM:cpd01736	Deacetoxyvindoline 16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine Desacetoxyvindoline deacetoxyvindoline desacetoxyvindoline
kegg.compound:C02673 keggC:C02673	Desacetoxyvindoline 16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine Deacetoxyvindoline
CHEBI:16957 chebi:16957	deacetoxyvindoline 16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine Deacetoxyvindoline Desacetoxyvindoline methyl 3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate
metacyc.compound:DEACETOXYVINDOLINE metacycM:DEACETOXYVINDOLINE	deacetoxyvindoline desacetoxyvindoline
chebi:14098 chebi:14128 chebi:23563 chebi:4442 keggC:M_C02673 seedM:M_cpd01736	secondary/obsolete/fantasy identifier