input word = C00021702

Metabolite InformationStructural formula
Name 9beta-Isovaleryloxy costunolide
Formula C20H28O4
Mw 332.19875938
CAS RN 68776-51-2
C_ID C00021702 ,
InChIKey YDKFFCLOGJQHFQ-GEDBCATMNA-N
InChICode InChI=1S/C20H28O4/c1-12(2)9-19(21)23-17-11-16-15(5)20(22)24-18(16)10-13(3)7-6-8-14(17)4/h8,10,12,16-18H,5-7,9,11H2,1-4H3/b13-10+,14-8+/t16-,17-,18+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(C)[C@@H](OC(=O)CC(C)C)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
zoom in