input word = C00052852

Metabolite InformationStructural formula
Name Azadirahemiacetal
Formula C34H52O8
Mw 588.36621864
CAS RN 1529774-21-7
C_ID C00052852
InChIKey KEKUEPNEIZAOPR-UGNDGZGGSA-N
InChICode InChI=1S/C34H52O8/c1-18(35)40-26-15-24-29(3,4)25(37)16-27(41-19(2)36)33(24,9)23-12-13-31(7)21(10-11-22(31)32(23,26)8)20-14-28-34(38,39-17-20)30(5,6)42-28/h11,20-21,23-28,37-38H,10,12-17H2,1-9H3/t20-,21+,23+,24+,25-,26-,27+,28-,31+,32+,33-,34+/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H](O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@H]5CO[C@@]6(O)[C@@H](C5)OC6(C)C)[C@]4(C)CC[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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