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CHEBI:169627 - Brassicanal B

ChEBI IDCHEBI:169627
ChEBI NameBrassicanal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11NO2S
Net Charge0
Average Mass233.292
Monoisotopic Mass233.05105
SMILESCC1(O)CSc2c(C=O)c3ccccc3n21
InChIInChI=1S/C12H11NO2S/c1-12(15)7-16-11-9(6-14)8-4-2-3-5-10(8)13(11)12/h2-6,15H,7H2,1H3
InChIKeyZIEFIDANMCIAOW-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)
Brassicanal B (CHEBI:169627) is a indoles (CHEBI:24828)
IUPAC Name 
1-hydroxy-1-methyl-2H-[1,3]thiazolo[3,2-a]indole-4-carbaldehyde
Manual XrefsDatabases
326803ChemSpider
HMDB0038592HMDB