input word = C00031547

Metabolite InformationStructural formula
Name 2'-O-Acetylcerleaside A
Formula C32H46O9
Mw 574.31418307
CAS RN 680195-85-1
C_ID C00031547 ,
InChIKey IACWKTLZDGHUMH-WWOQGQHHNA-N
InChICode InChI=1S/C32H46O9/c1-17-25(35)26(37-5)27(40-18(2)33)28(39-17)41-21-7-10-30(3)20(15-21)6-12-32-13-8-22(19-14-24(34)38-16-19)31(4,29(32)36)11-9-23(30)32/h14,17,20-23,25-28,35H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23+,25-,26+,27-,28-,30-,31?,32-/m0/s1
SMILES [C@@]12([C@H](CC[C@@]3([C@H](CC1)[C@@]1([C@H](CC3)C[C@H](CC1)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC)O)C)C)C2=O)C1=CC(=O)OC1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera adollam Ref.
PlantaeApocynaceaeCerbera manghas L. Ref.
zoom in