input word = C00022745

Metabolite InformationStructural formula
Name Villenatriol
8(17),13E-Labdadiene-7alpha,15,19-triol
Formula C20H34O3
Mw 322.25079495
CAS RN 66471-79-2
C_ID C00022745 ,
InChIKey AQHNJHRZBIHODY-KRQULFERNA-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/h8,16-18,21-23H,2,5-7,9-13H2,1,3-4H3/b14-8+/t16-,17+,18-,19+,20+/m0/s1
SMILES C=C1[C@H](O)CC2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis chamaedrifolia Ref.
zoom in