input word = C00038315

Metabolite InformationStructural formula
Name 7-Acetylneotrichilenone
Formula C28H36O5
Mw 452.25627426
CAS RN 18046-82-7
C_ID C00038315 ,
InChIKey YLKHFXUUZIHXPY-QUTIGORMNA-N
InChICode InChI=1S/C28H36O5/c1-16(29)33-23-14-21-25(2,3)22(31)8-11-27(21,5)20-7-10-26(4)18(17-9-12-32-15-17)13-19(30)24(26)28(20,23)6/h8-9,11-12,15,18,20-21,23-24H,7,10,13-14H2,1-6H3/t18-,20+,21+,23+,24+,26-,27+,28-/m0/s1
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C[C@H]3c3ccoc3)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeEkebergia capensis Ref.
zoom in



OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.