input word = C00058455

Metabolite InformationStructural formula
Name Deoxyazadirachtolide
Formula C33H48O7
Mw 556.34000389
CAS RN 198127-51-4
C_ID C00058455
InChIKey XTRAETIMTJUWRE-YDMLKQALSA-N
InChICode InChI=1S/C33H48O7/c1-18(2)14-26(35)40-25-15-24(39-19(3)34)31(5)17-38-27-28(31)33(25,7)23-10-12-30(4)21(20-11-13-37-16-20)8-9-22(30)32(23,6)29(27)36/h9,14,20-21,23-25,27-29,36H,8,10-13,15-17H2,1-7H3/t20-,21-,23-,24+,25-,27+,28-,29+,30-,31+,32-,33-/m0/s1
SMILES CC(=O)O[C@@H]1C[C@H](OC(=O)C=C(C)C)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@H]4CCOC4)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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