input word = C00062806

Metabolite InformationStructural formula
Name 7-Deacetyl-7-benzoylepoxyazadiradione
Formula C33H36O6
Mw 528.25118888
CAS RN 72446-31-2
C_ID C00062806
InChIKey NHRKCWIDMHBOOY-CRMKCTJSSA-N
InChICode InChI=1S/C33H36O6/c1-29(2)22-17-24(38-28(36)19-9-7-6-8-10-19)32(5)21(30(22,3)14-12-23(29)34)11-15-31(4)25(20-13-16-37-18-20)26(35)27-33(31,32)39-27/h6-10,12-14,16,18,21-22,24-25,27H,11,15,17H2,1-5H3/t21-,22+,24-,25-,27-,30-,31+,32+,33-/m1/s1
SMILES CC1(C)C(=O)C=CC2(C)C1CC(OC(=O)c1ccccc1)C1(C)C2CCC2(C)C(c3ccoc3)C(=O)C3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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