input word = C00047601

Metabolite InformationStructural formula
Name Toonaciliatin K
(+)-Toonaciliatin K
Formula C32H52O5
Mw 516.38147477
CAS RN 1142886-12-1
C_ID C00047601 ,
InChIKey IMIFPTNQMZAQRL-INGNPORWNA-N
InChICode InChI=1S/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19-,20-,21-,23+,24-,26-,27-,30+,31-,32+/m0/s1
SMILES CCO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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OrganismToona ciliata
ReferenceChen,J.Nat.Prod.,72,(2009),685