input word = C00054207

Metabolite InformationStructural formula
Name 5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene
Formula C14H10O3S2
Mw 290.00713565
CAS RN 1222-83-9
C_ID C00054207
InChIKey DTTMMEKKOHDZHY-UHFFFAOYSA-N
InChICode 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
SMILES CC(=O)OCC(=O)C#Cc1ccc(-c2cccs2)s1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTagetes erecta Ref.
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OrganismTagetes erecta
ReferenceBohlmann, F. et al., Chem. Ber., 1965, 98, 155

876 (isol, uv, ir, pmr, ord, struct, biosynth)