input word = C00021701

Metabolite InformationStructural formula
Name 9beta-(2-Methyl butyryloxy)-costunolide
Formula C20H28O4
Mw 332.19875938
CAS RN 68776-50-1
C_ID C00021701 ,
InChIKey HNBSPEQFYAYDLE-XWJCRCOZNA-N
InChICode InChI=1S/C20H28O4/c1-6-13(3)19(21)23-17-11-16-15(5)20(22)24-18(16)10-12(2)8-7-9-14(17)4/h9-10,13,16-18H,5-8,11H2,1-4H3/b12-10+,14-9+/t13-,16+,17+,18-/m1/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(C)[C@@H](OC(=O)C(C)CC)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula royleana Ref.
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