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ecgonone methyl ester

PropertiesImage
MNX_IDMNXM1372615 Image of MNXM1372615
referencechebi:66941
formulaC10H16NO3
global charge1
mol weight198.242
InChIKeyWXEMSGQRTGSYOG-LKEWCRSYSA-O
InChIInChI=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
SMILESCOC(=O)[C@H]1C(=O)C[C@@H]2CC[C@H]1[NH+]2C
MNX internals
InChI (mnx)InChI=1/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6-,7+,9+/m0/s1 Image of MNXM1372615
SMILES (mnx)[CH3:1][N:11]1[C@H:6]2[CH2:3][CH2:4][C@@H:7]1[C@@H:9]([C:10](=[O:13])[O:14][CH3:2])[C:8](=[O:12])[CH2:5]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66941
chebi:66941
WXEMSGQRTGSYOG-LKEWCRSYSA-O 		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

kegg.compound:C20371
keggC:C20371
WXEMSGQRTGSYOG-QXUHLLMWSA-N 		Ecgonone methyl ester

sabiork.compound:30052
sabiorkM:30052
WXEMSGQRTGSYOG-LKEWCRSYSA-N 		Ecgonone methyl ester
Methylecgonone

CHEBI:182527
chebi:182527
WXEMSGQRTGSYOG-QXUHLLMWSA-N 		Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate

CHEBI:67115
chebi:67115
WXEMSGQRTGSYOG-LKEWCRSYSA-N 		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
WXEMSGQRTGSYOG-LKEWCRSYSA-N 		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 		secondary/obsolete/fantasy identifier