input word = C00047586

Metabolite InformationStructural formula
Name Tiegusanin B
Formula C27H36O8
Mw 488.24101813
CAS RN 1156503-53-5
C_ID C00047586 ,
InChIKey XNJIOXMWQCHXAW-UHFFFAOYNA-N
InChICode InChI=1S/C27H36O8/c1-13(2)27(29)35-26-20-16(11-18(30-5)24(26)33-8)10-14(3)15(4)22(28)17-12-19(31-6)23(32-7)25(34-9)21(17)20/h11-15,22,28H,10H2,1-9H3/t14-,15+,22+/m0/s1
SMILES c12c(C[C@@H]([C@H]([C@H](c3c1c(c(c(c3)OC)OC)OC)O)C)C)cc(c(c2OC(=O)C(C)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra propinqua var.sinensis Ref.
zoom in