input word = C00049545

Metabolite InformationStructural formula
Name Azadirachtin N
Formula C33H44O15
Mw 680.26802074
CAS RN 235437-70-4
C_ID C00049545 ,
InChIKey IXRAKNFCTKZAEY-XPUSYESJNA-N
InChICode InChI=1S/C33H44O15/c1-7-13(2)24(36)45-16-9-15(34)30-11-44-20(25(37)41-5)21(30)28(3)23(19-22(30)31(16,12-43-19)26(38)42-6)48-29(4)14-8-17(33(28,29)40)46-27-32(14,39)10-18(35)47-27/h7,14-23,27,34-35,39-40H,8-12H2,1-6H3/b13-7+/t14-,15+,16-,17+,18+,19-,20+,21+,22-,23-,27-,28+,29-,30-,31+,32+,33+/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1C[C@H](O)[C@]23CO[C@H](C(=O)OC)C2[C@@]2(C)[C@H](O[C@]4(C)[C@H]5C[C@H](O[C@@H]6O[C@H](O)C[C@@]65O)[C@]24O)[C@@H]2OC[C@@]1(C(=O)OC)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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