input word = C00059256

Metabolite InformationStructural formula
Name 3-Acetyl-11-methoxy-1-tigloylazadirachtinin
Formula C36H46O16
Mw 734.27858542
CAS RN 113589-91-6
C_ID C00059256
InChIKey IRLZLBSKSFBHPL-JNIVOBJJSA-N
InChICode InChI=1S/C36H46O16/c1-9-16(2)25(38)50-19-13-20(49-17(3)37)33(27(39)43-6)14-47-22-23(33)32(19)15-48-35(45-8,28(40)44-7)26(32)30(4)24(22)52-31(5)18-12-21(36(30,31)42)51-29-34(18,41)10-11-46-29/h9-11,18-24,26,29,41-42H,12-15H2,1-8H3/b16-9+/t18-,19+,20-,21+,22-,23-,24-,26+,29+,30-,31-,32+,33+,34+,35+,36+/m1/s1
SMILES CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(OC)(C(=O)OC)C2C1(C)C3OC2(C)C3CC(OC4OC=CC43O)C21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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