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

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harmaline

	Properties	Image
MNX_ID	MNXM4609
reference	chebi:28172
formula	C₁₃H₁₄N₂O
global charge	0
mol weight	214.268
InChIKey	RERZNCLIYCABFS-UHFFFAOYSA-N
InChI	InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
SMILES	COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1

MNX internals

InChI (mnx)	InChI=1/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
SMILES (mnx)	[CH3:1][C:8]1=[N:14][CH2:6][CH2:5][C:11]2=[C:13]1[NH:15][C:12]1=[C:10]2[CH:4]=[CH:3][C:9]([O:16][CH3:2])=[CH:7]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
CHEBI:28172 chebi:28172 RERZNCLIYCABFS-UHFFFAOYSA-N	harmaline 3,4-Dihydroharmine 7-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole Armalin Dihydroharmine Harmaline Harmalol methyl ether Harmidine O-Methylharmalol harmalin
kegg.compound:C06536 keggC:C06536 RERZNCLIYCABFS-UHFFFAOYSA-N	Harmaline
hmdb:HMDB0030310 RERZNCLIYCABFS-UHFFFAOYSA-N	Harmaline 1-Methyl-7-methoxy-3, 4-dihydro-beta -carboline 1-Methyl-7-methoxy-3,4-dihydro- beta-carboline 1-Methyl-7-methoxy-3,4-dihydro-beta -carboline 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline 3, 4-Dihydroharmine 3,4-Dihydro-7-methoxy-1-methyl-9-pyrid(3,4-b)indole 3,4-Dihydro-7-methoxy-1-methyl-9-pyrid[3,4-b]indole 3,4-Dihydro-7-methoxy-1-methyl-9-pyrido(3,4-b)indole 3,4-Dihydro-7-methoxy-1-methyl-b-carboline 3,4-Dihydroharmine 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido(3,4-b)indole 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido[3,4-b]indole 7-Methoxy-1-methyl-4,9-dihydro-3H-b-carboline 7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline 7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole Armalin Dihydro-harmine Dihydroharmine Harmalin Harmalol methyl ether Harmidine O-Methylharmalol harmaline
seed.compound:cpd03945 seedM:cpd03945 RERZNCLIYCABFS-UHFFFAOYSA-O	Harmaline harmaline
metacyc.compound:CPD-9939 metacycM:CPD-9939 RERZNCLIYCABFS-UHFFFAOYSA-N	harmaline
hmdb:HMDB30310 chebi:24475 chebi:5621 keggC:M_C06536 seedM:M_cpd03945	secondary/obsolete/fantasy identifier