input word = C00063809

Metabolite InformationStructural formula
Name Azadirachtin I
Formula C32H42O12
Mw 618.26762681
CAS RN 134788-16-2
C_ID C00063809
InChIKey DTVGLMFEPSBEIA-JPALLTBASA-N
InChICode InChI=1S/C32H42O12/c1-7-14(2)24(35)42-18-11-17(41-15(3)33)27(4)12-39-20-21(27)30(18)13-40-25(36)22(30)28(5,23(20)34)32-19-10-16(29(32,6)44-32)31(37)8-9-38-26(31)43-19/h7-9,16-23,25-26,34,36-37H,10-13H2,1-6H3/b14-7+/t16-,17+,18-,19?,20+,21-,22-,23+,25+,26-,27+,28-,29-,30?,31-,32-/m0/s1
SMILES CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C)COC3C2C12COC(O)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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