input word = C00040504

Metabolite InformationStructural formula
Name Toonaciliatin H
Formula C27H37O7
Mw 473.25392854
CAS RN 81047-67-8
C_ID C00040504 ,
InChIKey VJASMSZGDVKDJA-OGOMSQOLNA-N
InChICode InChI=1S/C27H36O7/c1-23(2)19(14-22(30)31-6)24(3,10-8-21(29)33-23)18-7-11-25(4)17(16-9-12-32-15-16)13-20(28)27(25)26(18,5)34-27/h8-10,12,15,17-20,28H,7,11,13-14H2,1-6H3/t17-,18+,19-,20+,24+,25-,26+,27-/m0/s1
SMILES [C@@]123[C@@](CC[C@@H]([C@@]1(C)O3)[C@@]1([C@H](C(OC(=O)C=C1)(C)C)CC(=O)OC)C)([C@@H](C[C@H]2O)c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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