input word = C00022252

Metabolite InformationStructural formula
Name Villenolone
Formula C20H34O3
Mw 322.25079495
CAS RN 66471-78-1
C_ID C00022252 ,
InChIKey RDTPPSLOWRHVOZ-GQEOFSTQNA-N
InChICode InChI=1S/C20H34O3/c1-14(8-11-21)6-7-16-15(2)17(23)12-18-19(3,13-22)9-5-10-20(16,18)4/h8,15-16,18,21-22H,5-7,9-13H2,1-4H3/b14-8+/t15-,16-,18-,19+,20+/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@H]([C@@H](C(=O)C2)C)CC/C(=C/CO)/C)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis chamaedrifolia Ref.
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