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

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camalexin

	Properties	Image
MNX_ID	MNXM10868
reference	chebi:22990
formula	C₁₁H₈N₂S
global charge	0
mol weight	200.266
InChIKey	IYODIJVWGPRBGQ-UHFFFAOYSA-N
InChI	InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
SMILES	C1=CC2=C(C=C1)C(C1=NC=CS1)=CN2

MNX internals

InChI (mnx)	InChI=1/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]2[C:8](=[CH:3]1)[C:9]([C:11]1=[N:12][CH:5]=[CH:6][S:14]1)=[CH:7][NH:13]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:22990 chebi:22990 IYODIJVWGPRBGQ-UHFFFAOYSA-N	camalexin 3-(1,3-thiazol-2-yl)-1H-indole 3-thiazol-2'-yl-indole
seed.compound:cpd28220 seedM:cpd28220 IYODIJVWGPRBGQ-UHFFFAOYSA-N	3-thiazol-2'-yl-indole 3-(thiazol-2-yl)indole camalexin
hmdb:HMDB0038631 IYODIJVWGPRBGQ-UHFFFAOYSA-N	Camalexin 2-(3-Indolyl)thiazole 3-(1,3-thiazol-2-yl)-1H-indole 3-Thiazol-2'-yl-indole 3-Thiazol-2'-ylindole camalexin
kegg.compound:C21721 keggC:C21721 IYODIJVWGPRBGQ-UHFFFAOYSA-N	Camalexin 3-(Thiazol-2-yl)indole
metacyc.compound:THIAZOL-YL-INDOLE metacycM:THIAZOL-YL-INDOLE IYODIJVWGPRBGQ-UHFFFAOYSA-N	camalexin 3-(thiazol-2-yl)indole
hmdb:HMDB38631 keggC:M_C21721 seedM:M_cpd28220	secondary/obsolete/fantasy identifier