input word = C00020701

Metabolite InformationStructural formula
Name Isotanciloide
Formula C15H20O6
Mw 296.12598837
CAS RN 128386-05-0
C_ID C00020701 ,
InChIKey WXEQZOMYEYZFSK-NDENJLPYNA-N
InChICode InChI=1S/C15H20O6/c1-6-7-4-5-13(2,18)15(19)9(8(7)20-12(6)17)14(3)11(21-14)10(15)16/h7-11,16,18-19H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11+,13+,14-,15+/m0/s1
SMILES [C@H]12[C@]([C@@](CC[C@@H]3[C@@H]1OC(=O)C3=C)(O)C)([C@@H]([C@@H]1[C@@]2(C)O1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum cilicium Ref.
zoom in