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CHEBI:169920 - 1-chloro-3-(5'-(penta-1,3-diyn-1-yl)-[2,2'-bithiophen]-5-yl)prop-2-yn-1-ol

ChEBI IDCHEBI:169920
ChEBI Name1-chloro-3-(5'-(penta-1,3-diyn-1-yl)-[2,2'-bithiophen]-5-yl)prop-2-yn-1-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H9ClOS2
Net Charge0
Average Mass316.834
Monoisotopic Mass315.97833
SMILESCC#CC#Cc1ccc(-c2ccc(C#CC(O)Cl)s2)s1
InChIInChI=1S/C16H9ClOS2/c1-2-3-4-5-12-6-9-14(19-12)15-10-7-13(20-15)8-11-16(17)18/h6-7,9-10,16,18H,1H3
InChIKeyOYLJCCZNUIYGGT-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)
1-chloro-3-(5'-(penta-1,3-diyn-1-yl)-[2,2'-bithiophen]-5-yl)prop-2-yn-1-ol (CHEBI:169920) is a ring assembly (CHEBI:36820)
1-chloro-3-(5'-(penta-1,3-diyn-1-yl)-[2,2'-bithiophen]-5-yl)prop-2-yn-1-ol (CHEBI:169920) is a thiophenes (CHEBI:26961)
IUPAC Name 
1-chloro-3-[5-(5-penta-1,3-diynylthiophen-2-yl)thiophen-2-yl]prop-2-yn-1-ol
Manual XrefsDatabases
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