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ecgonine methyl ester

MNXM731060 is deprecated and here replaced by MNXM1104153
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104153

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	7

formula

C₁₀H₁₈NO₃

charge

mass

200.12812

reference

chebi:59908

InChIKey

QIQNNBXHAYSQRY-UYXSQOIJSA-O

InChI

InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/p+1/t6-,7+,8-,9+/m0/s1

SMILES

COC(=O)[C@H]1[C@@H](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:59908 chebi:59908	ecgonine methyl ester (1R,2R,3S,5S)-3-hydroxy-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane ecgoninium methyl ester(1+)
bigg.metabolite:egme biggM:egme	Ecgonine methyl ester
kegg.compound:C12448 keggC:C12448	Ecgonine methyl ester Methyl ecgonine
hmdb:HMDB0006406	Ecgonine methyl ester Methyl ecgonine ecgonine methyl ester methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
sabiork.compound:14480 sabiorkM:14480	Ecgonine methyl ester Methylecgonine
hmdb:HMDB0062751	Ecgoninium Methyl Ester(1+) (1R,2R,3S,5S)-3-hydroxy-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium Ecgonine methyl ester Ecgonine methyl ester hydrochloride, (1R-(exo,exo))-isomer Ecgonine methyl ester, (1R-(2-endo,3-exo))-isomer Ecgonine methyl ester, (1R-(2-exo,3-endo))-isomer Ecgonine methyl ester, (1R-(endo,endo))-isomer Ecgonine methyl ester, (1S-(endo,endo))-isomer Methyl ecgonine ecgoninium methyl ester(1+)
seed.compound:cpd09199 seedM:cpd09199	Methyl ecgonine 2beta-carbomethoxy-3beta-tropine Ecgonine methyl ester ecgonine methyl ester methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate methyl ecgonine
envipath:...933b195ce6b6 envipathM:...933b195ce6b6	compound 0051077
CHEBI:31529 chebi:31529	ecgonine methyl ester (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-ol Methyl ecgonine methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
metacyc.compound:CPD-9777 metacycM:CPD-9777	ecgonine methyl ester 2beta-carbomethoxy-3beta-tropine methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate methyl ecgonine
hmdb:HMDB06406 hmdb:HMDB62751 biggM:M_egme keggC:M_C12448 seedM:M_cpd09199	secondary/obsolete/fantasy identifier