input word = C00039413

Metabolite InformationStructural formula
Name Inflexanin A
Formula C22H32O5
Mw 376.22497413
CAS RN 111536-15-3
C_ID C00039413 ,
InChIKey AFWHPJJUZOPPFV-JXLFGUAANA-N
InChICode InChI=1S/C22H32O5/c1-11-13-8-14(24)18-21(5)7-6-16(27-12(2)23)20(3,4)17(21)15(25)10-22(18,9-13)19(11)26/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15+,16+,17-,18+,21-,22+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3(C[C@@H]2O)C[C@@H](C[C@@H]1O)C(=C)C3=O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
zoom in



OrganismIsodon inflexa
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)