input word = C00024091

Metabolite InformationStructural formula
Name 6-O-Acetylswietenolide
6-Acetylswietenolide
Formula C29H36O9
Mw 528.23593275
CAS RN 128321-85-7
C_ID C00024091 ,
InChIKey CFADVMDMXMEBDZ-RKOMKYAINA-N
InChICode InChI=1S/C29H36O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10,13,17-18,21-23,25,32H,7,9,11-12H2,1-6H3/t17-,18-,21+,22-,23+,25-,28+,29+/m0/s1
SMILES COC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya grandifoliola Ref.
PlantaeMeliaceaeSwietenia mahagoni JACQ. Ref.
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OrganismKhaya grandifoliola
ReferenceGyebi, G. A. et al., J. Biomol. Str. Dynamics, (2020), doi. Org/10.1080/07391102.2020.1764868.