input word = C00049956

Metabolite InformationStructural formula
Name 5-(3-Acetoxy-4-isovalero-yloxybut-1-ynyl)-2,2'-bithiophene
(+)-5-(3-Acetoxy-4-isovalero-yloxybut-1-ynyl)-2,2'-bithiophene
Formula C19H20O4S2
Mw 376.08030059
CAS RN 253268-01-8
C_ID C00049956 ,
InChIKey IPCJKRNSTDIJDY-UHFFFAOYNA-N
InChICode InChI=1S/C19H20O4S2/c1-13(2)11-19(21)22-12-15(23-14(3)20)6-7-16-8-9-18(25-16)17-5-4-10-24-17/h4-5,8-10,13,15H,11-12H2,1-3H3/t15-/m1/s1
SMILES c1(ccc(s1)c1sccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEchinops grijissi Ref.
zoom in