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

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Lupanine

	Properties	Image
MNX_ID	MNXM1371491
reference	seedM:cpd07658
formula	C₁₅H₂₅N₂O
global charge	1
mol weight	249.378
InChIKey	JYIJIIVLEOETIQ-ZOBORPQBSA-O
InChI	InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12+,13+,14-/m1/s1
SMILES	O=C1CCC[C@@H]2[C@@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3

MNX internals

InChI (mnx)	InChI=1/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12+,13+,14-/m1/s1
SMILES (mnx)	[CH2:1]1[CH2:2][CH2:7][N:16]2[CH2:9][C@H:11]3[CH2:8][C@@H:12]([CH2:10][N:17]4[C@@H:14]3[CH2:5][CH2:3][CH2:6][C:15]4=[O:18])[C@@H:13]2[CH2:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd07658 seedM:cpd07658 JYIJIIVLEOETIQ-ZOBORPQBSA-O	Lupanine (+)-Lupanine lupanine
seedM:M_cpd07658	secondary/obsolete/fantasy identifier