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

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harmol

	Properties	Image
MNX_ID	MNXM11748
reference	chebi:192558
formula	C₁₂H₁₀N₂O
global charge	0
mol weight	198.225
InChIKey	SATMZMMKDDTOSQ-UHFFFAOYSA-N
InChI	InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
SMILES	CC1=C2NC3=C(C=CC(O)=C3)C2=CC=N1

MNX internals

InChI (mnx)	InChI=1/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
SMILES (mnx)	[CH3:1][C:7]1=[C:12]2[C:10](=[CH:4][CH:5]=[N:13]1)[C:9]1=[C:11]([CH:6]=[C:8]([OH:15])[CH:2]=[CH:3]1)[NH:14]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:192558 chebi:192558 SATMZMMKDDTOSQ-UHFFFAOYSA-N	harmol 1-methyl-9H-beta-carbolin-7-ol 1-methyl-9H-pyrido[3,4-b]indol-7-ol
hmdb:HMDB0034217 SATMZMMKDDTOSQ-UHFFFAOYSA-N	Harmol 1-Methyl-9H-beta-carbolin-7-ol 1-Methyl-9H-pyrido(3,4-b)indol-7-ol 1-Methyl-9H-pyrido[3,4-b]indol-7-ol 1-Methyl-9H-pyrido[3,4-b]indol-7-ol, 9ci 1-methyl-9H-pyrido[3,4-b]indol-7-ol 7-Hydroxyharman 9H-pyrido(3,4-b)indol-7-Ol, 1-methyl- (8ci)(9ci) beta 7-Hydroxy-1-methyl--carboline harmol
metacyc.compound:CPD-9941 metacycM:CPD-9941 seed.compound:cpd25909 seedM:cpd25909 SATMZMMKDDTOSQ-UHFFFAOYSA-N	harmol
hmdb:HMDB34217 seedM:M_cpd25909	secondary/obsolete/fantasy identifier