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CHEBI:38119 - brassinin

Default Structure
ChEBI IDCHEBI:38119
ChEBI Namebrassinin
Stars
Last Modified17 October 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H12N2S2
Net Charge0
Average Mass236.365
Monoisotopic Mass236.04419
SMILESCSC(=S)NCc1cnc2ccccc12
InChIInChI=1S/C11H12N2S2/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)
InChIKeyQYKQWFZDEDFELK-UHFFFAOYSA-N
Roles Classification
Biological Role:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
brassinin (CHEBI:38119) is a dithiocarbamic ester (CHEBI:38129)
brassinin (CHEBI:38119) is a indole phytoalexin (CHEBI:24797)
IUPAC Name 
methyl (1H-indol-3-ylmethyl)carbamodithioate
Synonyms  Source
BrassinineChemIDplus
methyl (1H-indol-3-ylmethyl)dithiocarbamateIUPAC
Registry NumbersSources
Beilstein:3611293Beilstein
CAS:105748-59-2ChemIDplus