input word = C00040501

Metabolite InformationStructural formula
Name Toonaciliatin E
(-)-Toonaciliatin E
Formula C29H38O9
Mw 530.25158281
CAS RN 948556-28-3
C_ID C00040501 ,
InChIKey YUGPXFBJZOAFLD-RUPWREKXNA-N
InChICode InChI=1S/C29H38O9/c1-16(30)36-22(24(33)34-7)23-25(2,3)37-21(32)9-11-26(23,4)19-8-12-27(5)18(17-10-13-35-15-17)14-20(31)29(27)28(19,6)38-29/h9-11,13,15,18-20,22-23,31H,8,12,14H2,1-7H3/t18-,19+,20+,22+,23-,26+,27-,28+,29-/m0/s1
SMILES C1=CC(=O)OC([C@@H]([C@]1([C@@H]1[C@@]2([C@]3([C@@](CC1)([C@@H](C[C@H]3O)c1cocc1)C)O2)C)C)[C@H](C(=O)OC)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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