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@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@](OC4)(C(=O)OC)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
--Zadirachta excelsa Ref.
zoom in