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CHEBI:169036 - N-Methoxyspirobrassinol methyl ether

ChEBI IDCHEBI:169036
ChEBI NameN-Methoxyspirobrassinol methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O2S2
Net Charge0
Average Mass296.417
Monoisotopic Mass296.06532
SMILESCOC1N(OC)c2ccccc2C12CN=C(SC)S2
InChIInChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3
InChIKeyKJSKSCBVIGFOKZ-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)
N-Methoxyspirobrassinol methyl ether (CHEBI:169036) is a indoles (CHEBI:24828)
IUPAC Name 
1,2-dimethoxy-2'-methylsulanylspiro[2H-indole-3,5'-4H-1,3-thiazole]
Manual XrefsDatabases
8215801ChemSpider
HMDB0041059HMDB