CHEBI:169691 - Brassilexin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Brassilexin
ChEBI ID CHEBI:169691
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H6N2S
Net Charge 0
Average Mass 174.220
Monoisotopic Mass 174.02517
InChI InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H
InChIKey NHMBEDDKDVIBQD-UHFFFAOYSA-N
SMILES S1N=CC=2C=3C(NC12)=CC=CC3
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Brassilexin (CHEBI:169691) is a indoles (CHEBI:24828)
IUPAC Name
4H-[1,2]thiazolo[5,4-b]indole
Manual Xrefs Databases
19992709 ChemSpider
HMDB0039638 HMDB
View more database links
Registry Number Type Source
119752-76-0 CAS Registry Number ChemIDplus