EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169342 - 4-Methoxybrassinin

ChEBI IDCHEBI:169342
ChEBI Name4-Methoxybrassinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N2OS2
Net Charge0
Average Mass266.391
Monoisotopic Mass266.05476
SMILESCOc1cccc2ncc(CNC(=S)SC)c12
InChIInChI=1S/C12H14N2OS2/c1-15-10-5-3-4-9-11(10)8(6-13-9)7-14-12(16)17-2/h3-6,13H,7H2,1-2H3,(H,14,16)
InChIKeyJVKOHVNWMQYCIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-Methoxybrassinin (CHEBI:169342) is a indoles (CHEBI:24828)
IUPAC Name 
methyl N-[(4-methoxy-1H-indol-3-yl)methyl]carbamodithioate
Manual XrefsDatabases
9186134ChemSpider
HMDB0040790HMDB