input word = C00013049

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5abeta,9balpha)]-3a,5a,6,7,8,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,5(3H,4H)-dione
9-Oxotournefortiolide
Formula C15H18O3
Mw 246.12559444
CAS RN 111420-61-2
C_ID C00013049 ,
InChIKey CPHPAWJXZHHPEN-SJBIYWEDNA-N
InChICode InChI=1S/C15H18O3/c1-8-5-4-6-15(3)11(16)7-10-9(2)14(17)18-13(10)12(8)15/h10,13H,2,4-7H2,1,3H3/t10-,13+,15+/m0/s1
SMILES C=C1C(=O)O[C@H]2C3=C(C)CCC[C@]3(C)C(=O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia tournefortiana Ref.
zoom in