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CHEBI:169691 - Brassilexin

ChEBI IDCHEBI:169691
ChEBI NameBrassilexin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H6N2S
Net Charge0
Average Mass174.228
Monoisotopic Mass174.02517
SMILESc1ccc2c(c1)nc1sncc12
InChIInChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H
InChIKeyNHMBEDDKDVIBQD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Brassilexin (CHEBI:169691) is a indoles (CHEBI:24828)
IUPAC Name 
4H-[1,2]thiazolo[5,4-b]indole
Manual XrefsDatabases
19992709ChemSpider
HMDB0039638HMDB
Registry NumbersSources
CAS:119752-76-0ChemIDplus