input word = C00022518

Metabolite InformationStructural formula
Name ent-8(17),13E-Labdadien-7alpha,15-diol acetate
Formula C22H36O3
Mw 348.26644502
CAS RN 74635-75-9
C_ID C00022518 ,
InChIKey SFZUJTYVNLNPFE-WRMIILGDNA-N
InChICode InChI=1S/C22H36O3/c1-15(10-13-23)8-9-18-16(2)19(25-17(3)24)14-20-21(4,5)11-7-12-22(18,20)6/h10,18-20,23H,2,7-9,11-14H2,1,3-6H3/b15-10+/t18-,19+,20-,22-/m1/s1
SMILES C=C1[C@@H](OC(C)=O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAustroeupatorium chaparense Ref.
zoom in