input word = C00059255

Metabolite InformationStructural formula
Name 3-Deacetyl-3-cinnamoylazadirachtin
Formula C42H48O16
Mw 808.29423549
CAS RN 113589-90-5
C_ID C00059255
InChIKey PAIKRGQFDMVSAK-UHFFFAOYSA-N
InChICode InChI=1S/C42H48O16/c1-7-21(2)31(45)56-24-18-25(55-27(43)14-13-22-11-9-8-10-12-22)39(33(46)50-5)19-53-28-29(39)38(24)20-54-41(49,34(47)51-6)32(38)36(3,30(28)44)42-26-17-23(37(42,4)58-42)40(48)15-16-52-35(40)57-26/h7-16,23-26,28-30,32,35,44,48-49H,17-20H2,1-6H3
SMILES CC=C(C)C(=O)OC1CC(OC(=O)C=Cc2ccccc2)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
Referencehttps://doi.org/10.1016/S0040-4020(01)86887-3