CHEBI:38119 - brassinin

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ChEBI Name brassinin
ChEBI ID CHEBI:38119
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H12N2S2
Net Charge 0
Average Mass 236.35846
Monoisotopic Mass 236.04419
InChI InChI=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)
InChIKey QYKQWFZDEDFELK-UHFFFAOYSA-N
SMILES CSC(=S)NCc1c[nH]c2ccccc12
Roles Classification
Biological Role(s): phytoalexin
A toxin made by a plant that acts against an organism attacking it.
(via indole phytoalexin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Brassinine ChemIDplus
methyl (1H-indol-3-ylmethyl)dithiocarbamate IUPAC
Registry Numbers Types Sources
105748-59-2 CAS Registry Number ChemIDplus
3611293 Beilstein Registry Number Beilstein
Last Modified
17 October 2009