input word = C00053862

Metabolite InformationStructural formula
Name Trichilenone acetate
Formula C28H36O5
Mw 452.25627426
CAS RN 42483-64-7
C_ID C00053862
InChIKey NLMNREAYBMUJOI-KHMKPYNHSA-N
InChICode InChI=1S/C28H36O5/c1-16(29)32-22-14-20-24(2,3)21(30)8-10-25(20,4)19-7-11-26(5)18(17-9-12-31-15-17)13-23-28(26,33-23)27(19,22)6/h8-10,12,15,18-20,22-23H,7,11,13-14H2,1-6H3/t18-,19+,20-,22+,23+,25+,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](c4ccoc4)C[C@H]4O[C@]43[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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