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

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

ChEBI ID	CHEBI:169239

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H10O3S2

Net Charge

Average Mass

290.350

Monoisotopic Mass

290.00714

InChI

InChI=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

InChIKey

DTTMMEKKOHDZHY-UHFFFAOYSA-N

SMILES

S1C(C=2SC=CC2)=CC=C1C#CC(=O)COC(=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	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