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CHEBI:231264 - Arctinal

ChEBI IDCHEBI:231264
ChEBI NameArctinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H8OS2
Net Charge0
Average Mass232.329
Monoisotopic Mass232.00166
SMILESCC#Cc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C12H8OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-8H,1H3
InChIKeyZEAXBOPUTILUGH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Arctinal (CHEBI:231264) is a ring assembly (CHEBI:36820)
Arctinal (CHEBI:231264) is a thiophenes (CHEBI:26961)
IUPAC Name 
5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carbaldehyde
Manual XrefsDatabases
32700600ChemSpider
HMDB0302302HMDB