input word = C00020461

Metabolite InformationStructural formula
Name Isoepoxyestafiatin
Formula C15H18O4
Mw 262.12050906
CAS RN 139343-89-8
C_ID C00020461 ,
InChIKey DQRKUDIDIYSHPH-FNMUWYCLNA-N
InChICode InChI=1S/C15H18O4/c1-7-8-4-5-13(2)15(19-13)6-9-14(3,18-9)11(15)10(8)17-12(7)16/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-,11-,13-,14+,15+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13C[C@H]1O[C@@]1(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLidbeckia pectinata Ref.
zoom in