input word = C00058378

Metabolite InformationStructural formula
Name Azedarachin C
Formula C32H42O10
Mw 586.27779756
CAS RN 157653-66-2
C_ID C00058378
InChIKey LYPRXGBHIMCFLS-SBZCVIKGSA-N
InChICode InChI=1S/C32H42O10/c1-15(2)26(37)41-27-29(5)20-10-21(35)30(6)25(31(20,14-39-27)22(36)11-23(29)40-16(3)33)19(34)12-28(4)18(17-7-8-38-13-17)9-24-32(28,30)42-24/h7-8,13,15,18,20-25,27,35-36H,9-12,14H2,1-6H3/t18-,20-,21+,22-,23-,24+,25-,27-,28-,29+,30+,31+,32+/m0/s1
SMILES CC(=O)O[C@H]1C[C@H](O)[C@@]23CO[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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