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/C=C(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@@H]4[C@@H](O)OC[C@@]14[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta excelsa Ref.
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
Referencehttps://doi.org/10.1021/NP980452D