input word = C00064651

Metabolite InformationStructural formula
Name Azadirachtin D
Formula C34H44O14
Mw 676.27310612
CAS RN 99399-65-2
C_ID C00064651
InChIKey SNNRXIOWEMKFFZ-TXCILVRSSA-N
InChICode InChI=1S/C34H44O14/c1-8-15(2)24(37)46-19-12-18(45-16(3)35)28(4)13-43-21-22(28)31(19)14-44-33(40,26(38)41-7)25(31)29(5,23(21)36)34-20-11-17(30(34,6)48-34)32(39)9-10-42-27(32)47-20/h8-10,17-23,25,27,36,39-40H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20?,21-,22-,23+,25-,27-,28+,29+,30-,31?,32-,33-,34-/m0/s1
SMILES CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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