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

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(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol

	Properties	Image
MNX_ID	MNXM172677
reference	chebi:94416
formula	C₂₀H₂₄N₂O₂
global charge	0
mol weight	324.424
InChIKey	LOUPRKONTZGTKE-UHFFFAOYSA-N
InChI	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
SMILES	C=CC1CN2CCC1CC2C(O)C1=C2C=C(OC)C=CC2=NC=C1

MNX internals

InChI (mnx)	InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20?
SMILES (mnx)	[CH2:1]=[CH:3][CH:13]1[CH2:12][N:22]2[CH2:9][CH2:7][CH:14]1[CH2:10][CH:19]2[CH:20]([C:16]1=[CH:6][CH:8]=[N:21][C:18]2=[C:17]1[CH:11]=[C:15]([O:24][CH3:2])[CH:4]=[CH:5]2)[OH:23]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:94416 chebi:94416 LOUPRKONTZGTKE-UHFFFAOYSA-N	(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol
hmdb:HMDB0242153 LOUPRKONTZGTKE-UHFFFAOYSA-N	(R)-(6-Methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol (-)-quinine Adaquin Alphapharm brand OF quinine sulfate Apo quinidine Apo-quinidine Aventis brand OF quinine bisulfate Biquinate Bisulfate, quinine Chinidin Fawns and mcallan brand OF quinine bisulfate Fawns and mcallan brand OF quinine sulfate Foy brand OF quinine sulfate Hoechst brand OF quinine sulfate Hydrochloride, quinine Innotech brand OF quinine hydrochloride Lafran brand OF quinine hydrochloride Legatrim Myoquin Odan brand OF quinine sulfate Plough brand OF quinine sulfate Prosana brand OF quinine bisulfate Quinamm Quinbisan Quinbisul Quincardine Quindan Quinidex Quinidine sulfate Quinimax Quinine bisulfate Quinine hydrochloride Quinine lafran Quinine sulfate Quinine sulphate Quinine-odan Quinoctal Quinora Quinson Quinsul Strema Sulfate, quinidine Sulfate, quinine Sulphate, quinine Surquina {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanol