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

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harmine

	Properties	Image
MNX_ID	MNXM7410
reference	chebi:28121
formula	C₁₃H₁₂N₂O
global charge	0
mol weight	212.252
InChIKey	BXNJHAXVSOCGBA-UHFFFAOYSA-N
InChI	InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
SMILES	COC1=CC2=C(C=C1)C1=CC=NC(C)=C1N2

MNX internals

InChI (mnx)	InChI=1/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
SMILES (mnx)	[CH3:1][C:8]1=[C:13]2[C:11](=[CH:5][CH:6]=[N:14]1)[C:10]1=[C:12]([CH:7]=[C:9]([O:16][CH3:2])[CH:3]=[CH:4]1)[NH:15]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28121 chebi:28121 BXNJHAXVSOCGBA-UHFFFAOYSA-N	harmine 6-Methoxyharman 7-methoxy-1-methyl-9H-beta-carboline 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole Banisterine Harmine Leucoharmine Telepathine Yageine Yajeine
kegg.compound:C06538 keggC:C06538 BXNJHAXVSOCGBA-UHFFFAOYSA-N	Harmine
hmdb:HMDB0030311 BXNJHAXVSOCGBA-UHFFFAOYSA-N	Harmine 1-Methyl-7-methoxy-beta -carboline 1-Methyl-7-methoxy-beta-carboline 442-51-3 (FREE base) 6-Methoxyharman 7-Methoxy-1-methyl-9H-b-carboline 7-Methoxy-1-methyl-9H-beta-carboline 7-Methoxy-1-methyl-9H-pyrido(3,4-b)indole 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole, 9ci 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole Banisterin Banisterine Garmin HRM Harmin Harmin hydrochloride Leucoharmine Telepathien Telepathin Telepathine Yagein Yageine Yajeine harmine
seed.compound:cpd03947 seedM:cpd03947 BXNJHAXVSOCGBA-UHFFFAOYSA-N	Harmine harmine
metacyc.compound:CPD-9940 metacycM:CPD-9940 BXNJHAXVSOCGBA-UHFFFAOYSA-N	harmine
CHEBI:195234 chebi:195234 BXNJHAXVSOCGBA-UHFFFAOYSA-N	harmine-d3 1-methyl-7-(methoxy-d3)-beta-carboline 1-methyl-7-(trideuteriomethoxy)-9H-pyrido[3,4-b]indole 1-methyl-7-[((2)H3)methyloxy]-9H-beta-carboline 7-(methoxy-d3)-1-methyl-9H-pyrido[3,4-b]indole banisterine-d3
hmdb:HMDB30311 chebi:24477 chebi:5624 keggC:M_C06538 seedM:M_cpd03947	secondary/obsolete/fantasy identifier