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ecgonone methyl ester

Properties

Image

Occurences in reactions

MNX_ID

MNXM9797

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₀H₁₆NO₃

charge

mass

198.11247

reference

InChIKey

WXEMSGQRTGSYOG-LKEWCRSYSA-O

InChI

InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/p+1/t6-,7+,9+/m0/s1

SMILES

COC(=O)[C@H]1C(=O)C[C@@H]2CC[C@H]1[NH+]2C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66941 chebi:66941	ecgonone methyl ester (1R,2R,5S)-2-(methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane 2beta-carbomethoxy-3-tropinone ecgononium methyl ester(1+) methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
seed.compound:cpd25834 seedM:cpd25834	2-carbomethoxy-3-tropinone methyl (1R,2R,5S)-8-methyl-3-oxo- 8-azabicyclo[3.2.1]octane-2-carboxylate methyl ecgonone
seed.compound:cpd31061 seedM:cpd31061 kegg.compound:C20371 keggC:C20371	Ecgonone methyl ester
sabiork.compound:30052 sabiorkM:30052	Ecgonone methyl ester Methylecgonone
CHEBI:67115 chebi:67115	ecgonone methyl ester methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
metacyc.compound:CPD-9775 metacycM:CPD-9775	methyl ecgonone 2-carbomethoxy-3-tropinone methyl (1R,2R,5S)-8-methyl-3-oxo- 8-azabicyclo[3.2.1]octane-2-carboxylate
keggC:M_C20371 seedM:M_cpd25834 seedM:M_cpd31061	secondary/obsolete/fantasy identifier