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CHEBI:169239 - 5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene

ChEBI IDCHEBI:169239
ChEBI Name5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H10O3S2
Net Charge0
Average Mass290.365
Monoisotopic Mass290.00714
SMILESCC(=O)OCC(=O)C#Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C14H10O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8H,9H2,1H3
InChIKeyDTTMMEKKOHDZHY-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)
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene (CHEBI:169239) is a ring assembly (CHEBI:36820)
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene (CHEBI:169239) is a thiophenes (CHEBI:26961)
IUPAC Name 
[2-oxo-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate
Manual XrefsDatabases
30777254ChemSpider
HMDB0038459HMDB