input word = C00022509

Metabolite InformationStructural formula
Name Methyl ent-6,16-dioxo-7,13Z-labdadien-15-oate
Formula C21H30O4
Mw 346.21440945
CAS RN 88862-11-7
C_ID C00022509 ,
InChIKey QEMRWXIMBVUYBG-PSJSVCNWNA-N
InChICode InChI=1S/C21H30O4/c1-14-11-17(23)19-20(2,3)9-6-10-21(19,4)16(14)8-7-15(13-22)12-18(24)25-5/h11-13,16,19H,6-10H2,1-5H3/b15-12+/t16-,19-,21+/m1/s1
SMILES COC(=O)/C=C(/C=O)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
zoom in