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

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skatole

	Properties	Image
MNX_ID	MNXM5299
reference	chebi:9171
formula	C₉H₉N
global charge	0
mol weight	131.178
InChIKey	ZFRKQXVRDFCRJG-UHFFFAOYSA-N
InChI	InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
SMILES	CC1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:6][NH:10][C:9]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-213162 reactomeM:R-ALL-213162 CHEBI:9171 chebi:9171 ZFRKQXVRDFCRJG-UHFFFAOYSA-N	skatole 3-Methylindole 3-methyl-1H-indole 3-methyl-4,5-benzopyrrole Skatol Skatole beta-methylindole
hmdb:HMDB0000466 ZFRKQXVRDFCRJG-UHFFFAOYSA-N	3-Methylindole 3 Methylindole 3-MI 3-Methyl-1H-indole 3-Methyl-4,5-benzopyrrole 3-methyl-1H-indole Scatole Skatol Skatole b-Methylindole beta-Methylindole beta-methylindole scatole
sabiork.compound:10412 sabiorkM:10412 kegg.compound:C08313 keggC:C08313 ZFRKQXVRDFCRJG-UHFFFAOYSA-N	Skatole 3-Methylindole
seed.compound:cpd05228 seedM:cpd05228 ZFRKQXVRDFCRJG-UHFFFAOYSA-N	Skatole 3-Methylindole methyl-3-indole skatole
metacyc.compound:SKATOLE metacycM:SKATOLE ZFRKQXVRDFCRJG-UHFFFAOYSA-N	skatole 3-methyl-1H-indole
hmdb:HMDB00466 keggC:M_C08313 seedM:M_cpd05228	secondary/obsolete/fantasy identifier