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CHEBI:230590 - e-3179

Default Structure
ChEBI IDCHEBI:230590
ChEBI Namee-3179
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21ClN6O
Net Charge0
Average Mass420.904
Monoisotopic Mass420.14654
SMILESCCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnnn2)cc1
InChIInChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
InChIKeyFQZSMTSTFMNWQF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
e-3179 (CHEBI:230590) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Manual XrefsDatabases
7978026ChemSpider
HMDB0013846HMDB