input word = C00042041

Metabolite InformationStructural formula
Name 11alpha-Azadirachtin H
Formula C33H42O14
Mw 662.25745605
CAS RN 160024-46-4
C_ID C00042041 ,
InChIKey ILMJTWSQVCYIKY-PZRCXQMONA-N
InChICode InChI=1S/C33H42O14/c1-7-14(2)24(36)45-17-11-18(44-15(3)34)31(26(38)40-6)13-42-20-21(31)30(17)12-43-25(37)22(30)28(4,23(20)35)33-19-10-16(29(33,5)47-33)32(39)8-9-41-27(32)46-19/h7-9,16-23,25,27,35,37,39H,10-13H2,1-6H3/b14-7+/t16-,17+,18-,19+,20-,21-,22+,23-,25+,27+,28+,29+,30+,31+,32-,33+/m1/s1
SMILES [C@H]1([C@H]2[C@@H]3[C@@]4([C@H]([C@@]1([C@]15[C@@]([C@@H]6[C@]7([C@H](O[C@H]1C6)OC=C7)O)(C)O5)C)[C@H](OC4)O)[C@H](C[C@H]([C@]3(CO2)C(=O)OC)OC(=O)C)OC(=O)/C(=C/C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta excelsa Ref.
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