EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173633 - Brassitin

ChEBI IDCHEBI:173633
ChEBI NameBrassitin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12N2OS
Net Charge0
Average Mass220.297
Monoisotopic Mass220.06703
SMILESCSC(=O)NCc1cnc2ccccc12
InChIInChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyGHGDPZHQDKPWOJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Brassitin (CHEBI:173633) is a indoles (CHEBI:24828)
IUPAC Name 
S-methyl N-(1H-indol-3-ylmethyl)carbamothioate
Manual XrefsDatabases
8211978ChemSpider
HMDB0040977HMDB