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.
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