MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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tropinone

	Properties	Image
MNX_ID	MNXM1595
reference	chebi:57851
formula	C₈H₁₄NO
global charge	1
mol weight	140.206
InChIKey	QQXLDOJGLXJCSE-KNVOCYPGSA-O
InChI	InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/p+1/t6-,7+
SMILES	C[NH+]1[C@@H]2CC[C@H]1CC(=O)C2

MNX internals

InChI (mnx)	InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
SMILES (mnx)	[CH3:1][N:9]1[C@H:6]2[CH2:2][CH2:3][C@@H:7]1[CH2:5][C:8](=[O:10])[CH2:4]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57851 chebi:57851 QQXLDOJGLXJCSE-KNVOCYPGSA-O	tropinone (8-syn)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane tropiniumone tropiniumone cation tropiniumone(1+) tropinone cation
sabiork.compound:5235 sabiorkM:5235 kegg.compound:C00783 keggC:C00783 QQXLDOJGLXJCSE-KNVOCYPGSA-N QQXLDOJGLXJCSE-UHFFFAOYSA-N	Tropinone 3-Tropanone
seed.compound:cpd00580 seedM:cpd00580 QQXLDOJGLXJCSE-KNVOCYPGSA-O	Tropinone 3-Tropanone tropinone
envipath:...731d559d7008 envipathM:...731d559d7008 QQXLDOJGLXJCSE-UHFFFAOYSA-N	compound 0059611
metacyc.compound:TROPINONE metacycM:TROPINONE QQXLDOJGLXJCSE-KNVOCYPGSA-O	tropinone
CHEBI:16656 chebi:16656 QQXLDOJGLXJCSE-KNVOCYPGSA-N	tropinone (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one 1alphaH,5alphaH-tropan-3-one 3-Tropanone 3-tropinone 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE 8-methyl-8-azabicyclo[3.2.1]octan-3-one N-methyl-8-azabicyclo[3.2.1]octan-3-one Tropinon Tropinone tropan-3-one
hmdb:HMDB0304521 QQXLDOJGLXJCSE-UHFFFAOYSA-N	tropinone 3-Tropanone 3-Tropinone 3-Tropinone hydrobromide 3-Tropinone hydrochloride 8-methyl-8-azabicyclo[3.2.1]octan-3-one tropanone
chebi:15270 chebi:27159 chebi:46048 chebi:9760 keggC:M_C00783 seedM:M_cpd00580	secondary/obsolete/fantasy identifier