input word = C00042042

Metabolite InformationStructural formula
Name 11-epi-Azadirachtin D
(-)-11-epi-Azadirachtin D
Formula C34H44O14
Mw 676.27310612
CAS RN 214961-09-8
C_ID C00042042 ,
InChIKey SNNRXIOWEMKFFZ-ZIRYQIPMNA-N
InChICode InChI=1S/C34H44O14/c1-8-15(2)24(37)46-19-12-18(45-16(3)35)28(4)13-43-21-22(28)31(19)14-44-33(40,26(38)41-7)25(31)29(5,23(21)36)34-20-11-17(30(34,6)48-34)32(39)9-10-42-27(32)47-20/h8-10,17-23,25,27,36,39-40H,11-14H2,1-7H3/b15-8+/t17-,18-,19+,20+,21+,22+,23-,25+,27+,28-,29-,30+,31+,32-,33-,34+/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)(O)C(=O)OC)[C@H](C[C@H]([C@]3(CO2)C)OC(=O)C)OC(=O)/C(=C/C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
ReferenceRamji,Phytochem.,49,(1998),265