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CHEBI:179406 - Methoxybrassitin

ChEBI IDCHEBI:179406
ChEBI NameMethoxybrassitin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N2O2S
Net Charge0
Average Mass250.323
Monoisotopic Mass250.07760
SMILESCOn1cc(CNC(=O)SC)c2ccccc21
InChIInChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyBHXCFNZULGNWRA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methoxybrassitin (CHEBI:179406) is a indoles (CHEBI:24828)
IUPAC Name 
S-methyl N-[(1-methoxyindol-3-yl)methyl]carbamothioate
Manual XrefsDatabases
HMDB0038637HMDB
28674925ChemSpider