input word = C00017408

Metabolite InformationStructural formula
Name Ligucalthaefolin
Formula C20H24O5
Mw 344.16237388
CAS RN 64185-26-8
C_ID C00017408 ,
InChIKey DEFMCBVSKBZNPH-UHFFFAOYNA-N
InChICode InChI=1S/C20H24O5/c1-5-10(2)18(21)24-15-12-7-6-8-13-19(22)25-17(20(12,13)4)14-11(3)9-23-16(14)15/h5,9,12-13,15,17H,6-8H2,1-4H3/b10-5+/t12-,13-,15-,17-,20-/m0/s1
SMILES CC=C(C)C(=O)OC1c2occ(C)c2C2OC(=O)C3CCCC1C32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia calthaefolia Ref.
zoom in