input word = C00017510

Metabolite InformationStructural formula
Name Cacalohastin
Cacalohastine
Formula C16H18O2
Mw 242.13067982
CAS RN 52078-95-2
C_ID C00017510 ,
InChIKey WCJNJWNPAYBQPW-IMWMWJONNA-N
InChICode InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1
SMILES COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCacalia hastata Ref.
zoom in