input word = C00033592

Metabolite InformationStructural formula
Name 8-Acetyllactucin
Formula C17H18O6
Mw 318.11033831
CAS RN 135626-60-7
C_ID C00033592 ,
InChIKey FTYXVXCMXAENOM-UBYFPMPVNA-N
InChICode InChI=1S/C17H18O6/c1-7-4-12(22-9(3)19)14-8(2)17(21)23-16(14)15-10(6-18)5-11(20)13(7)15/h5,12,14-16,18H,2,4,6H2,1,3H3/t12-,14-,15+,16+/m1/s1
SMILES [C@H]12C(=C(C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)C)C)C(=O)C=C2CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca floridana Gaertn. Ref.
PlantaeAsteraceaeLaunaea mucronata Muschl. Ref.
zoom in