input word = C00042267

Metabolite InformationStructural formula
Name Azadirachtin Q
(-)-Azadirachtin Q
Formula C32H40O15
Mw 664.23672061
CAS RN 863408-54-2
C_ID C00042267 ,
InChIKey WCKRCDIVSWWTJC-UMVIBUKQNA-N
InChICode InChI=1S/C32H40O15/c1-13(33)44-16-10-17(45-14(2)34)30(25(37)40-6)12-42-19-22(30)29(16)11-43-20(24(36)39-5)21(29)27(3,23(19)35)32-18-9-15(28(32,4)47-32)31(38)7-8-41-26(31)46-18/h7-8,15-23,26,35,38H,9-12H2,1-6H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,26+,27+,28+,29+,30+,31-,32+/m1/s1
SMILES COC(=O)[C@H]1OC[C@@]23C4[C@@H](OC[C@]4(C(=O)OC)[C@H](OC(C)=O)C[C@@H]2OC(C)=O)[C@@H](O)[C@@](C)([C@]24O[C@@]2(C)[C@H]2CC4O[C@@H]4OC=C[C@@]42O)[C@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta excelsa Ref.
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