input word = C00022221

Metabolite InformationStructural formula
Name 3alpha-Hydroxyisoagatholal
Formula C20H32O3
Mw 320.23514489
CAS RN 117254-99-6
C_ID C00022221 ,
InChIKey LHFRWJDSLFOXLZ-DWWHZZBPNA-N
InChICode InChI=1S/C20H32O3/c1-14(10-12-21)5-7-16-15(2)6-8-17-19(16,3)11-9-18(23)20(17,4)13-22/h10,13,16-18,21,23H,2,5-9,11-12H2,1,3-4H3/b14-10+/t16-,17+,18+,19-,20+/m0/s1
SMILES C=C1CC[C@H]2[C@@](C)(C=O)[C@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus thurifera Ref.
zoom in