CHEBI:169627 - Brassicanal B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Brassicanal B
ChEBI ID CHEBI:169627
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H11NO2S
Net Charge 0
Average Mass 233.290
Monoisotopic Mass 233.05105
InChI InChI=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
InChIKey ZIEFIDANMCIAOW-UHFFFAOYSA-N
SMILES S1CC(O)(N2C1=C(C=3C2=CC=CC3)C=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
326803 ChemSpider
HMDB0038592 HMDB
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