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

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harman

	Properties	Image
MNX_ID	MNXM11747
reference	chebi:5623
formula	C₁₂H₁₀N₂
global charge	0
mol weight	182.226
InChIKey	PSFDQSOCUJVVGF-UHFFFAOYSA-N
InChI	InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
SMILES	CC1=C2NC3=C(C=CC=C3)C2=CC=N1

MNX internals

InChI (mnx)	InChI=1/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
SMILES (mnx)	[CH3:1][C:8]1=[C:12]2[C:10](=[CH:6][CH:7]=[N:13]1)[C:9]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:11]1[NH:14]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5623 chebi:5623 PSFDQSOCUJVVGF-UHFFFAOYSA-N	harman 1-methyl-2-carboline 1-methyl-9H-beta-carboline 1-methyl-9H-pyrido[3,4-b]indole 1-methyl-beta-carboline 1-methylnorharman Harman L-methylpyridobindole aribin aribine harmane locuturin locuturine loturine passiflorin
bigg.metabolite:C09209 biggM:C09209 kegg.compound:C09209 keggC:C09209 PSFDQSOCUJVVGF-UHFFFAOYSA-N	Harman
hmdb:HMDB0035196 PSFDQSOCUJVVGF-UHFFFAOYSA-N	Harman 1-Methyl-2-carboline 1-Methyl-9H-b-carboline 1-Methyl-9H-beta-carboline 1-Methyl-9H-pyrido[3,4-b]indole 1-Methyl-9H-pyrido[3,4-b]indole, 9ci 1-Methyl-b-carboline 1-Methyl-beta-carboline 1-Methylnorharman 1-methyl-9H-pyrido[3,4-b]indole 2-Methyl-beta-carboline 3-Methyl-4-carboline Aribin Aribine Harman hydrochloride Harmane L-Methyl-pyridobindole L-Methylpyridobindole Locuturin Locuturine Loturine Passiflorin Passiflorine Zygofabagine harmane
seed.compound:cpd06104 seedM:cpd06104 PSFDQSOCUJVVGF-UHFFFAOYSA-N	Harman 1-methyl-2-carboline aribin aribine harman locuturine
vmhM:C09209 vmhmetabolite:C09209 PSFDQSOCUJVVGF-UHFFFAOYSA-N	Harman 1-methyl-9H-pyrido[3,4-b]indole
metacyc.compound:CPD66-92 metacycM:CPD66-92 PSFDQSOCUJVVGF-UHFFFAOYSA-N	harman 1-methyl-2-carboline aribin aribine locuturine
hmdb:HMDB35196 biggM:M_C09209 keggC:M_C09209 seedM:M_cpd06104 vmhM:M_C09209	secondary/obsolete/fantasy identifier