input word = C00042263

Metabolite InformationStructural formula
Name Azadirachtin B
Formula C35H44O16
Mw 720.26293536
CAS RN 95507-03-2
C_ID C00042263 ,
InChIKey FTNJWQUOZFUQQJ-IBBBQVCPNA-N
InChICode InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/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]3C2[C@]12CO[C@](O)(C(=O)OC)[C@H]2[C@](C)([C@]12O[C@@]1(C)[C@H]1CC2O[C@@H]2OC=C[C@@]21O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
--Zadirachta excelsa Ref.
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OrganismZadirachta excelsa
ReferenceKanokmedhakul,J.Nat.Prod.,68,(2005),1047