input word = C00054206

Metabolite InformationStructural formula
Name 1-Chloro-4-[5-(3-thienyl)-2-thienyl]-3-butyn-2-ol
Formula C12H9ClOS2
Mw 267.97833408
CAS RN 1020-03-7
C_ID C00054206
InChIKey GFYWABYZRGXGNU-UHFFFAOYSA-N
InChICode InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2
SMILES OC(C#Cc1ccc(-c2cccs2)s1)CCl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTagetes minuta Ref.
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OrganismTagetes minuta
ReferenceBohlmann, F. et al., Chem. Ber., 1965, 98, 155

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