input word = C00022503

Metabolite InformationStructural formula
Name Methyl ent-16-acetoxy-6-oxo-7,13E-labdadien-15-oate
Formula C23H34O5
Mw 390.2406242
CAS RN 88862-15-1
C_ID C00022503 ,
InChIKey PHJRUQKEJPSVIY-YFMQVNLJNA-N
InChICode InChI=1S/C23H34O5/c1-15-12-19(25)21-22(3,4)10-7-11-23(21,5)18(15)9-8-17(13-20(26)27-6)14-28-16(2)24/h12-13,18,21H,7-11,14H2,1-6H3/b17-13+/t18-,21-,23+/m1/s1
SMILES COC(=O)/C=C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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