input word = C00050922

Metabolite InformationStructural formula
Name Isodoternifolin B
Formula C22H32O6
Mw 392.21988875
CAS RN 183368-73-2
C_ID C00050922
InChIKey RCPNJMOECJYANN-ZTGTXSEBNA-N
InChICode InChI=1S/C22H32O6/c1-11-13-8-14(28-12(2)23)15-20-7-5-6-19(3,4)16(20)18(25)22(26,27-10-20)21(15,9-13)17(11)24/h13-18,24-26H,1,5-10H2,2-4H3/t13-,14-,15+,16-,17-,18+,20-,21+,22-/m1/s1
SMILES C=C1[C@@H]2C[C@@H](OC(C)=O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon ternifolia Ref.
PlantaeLabiataeIsodon ternifolius Ref.
zoom in



OrganismIsodon ternifolia
ReferenceWang, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 31, (1996), 764.

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)