input word = C00061128

Metabolite InformationStructural formula
Name 4alpha,6alpha-Dihydroxy-A-homoazadiradione
Formula C29H36O7
Mw 496.2461035
CAS RN 260394-21-6
C_ID C00061128
InChIKey DHJKYONFIFVTSI-LKTCLWLFSA-N
InChICode InChI=1S/C29H36O7/c1-15(30)36-25-22(33)23-26(2,3)24(34)17(31)7-10-28(23,5)19-8-11-27(4)20(29(19,25)6)13-18(32)21(27)16-9-12-35-14-16/h7,9-10,12-14,19,21-25,33-34H,8,11H2,1-6H3/t19-,21-,22-,23+,24-,25-,27-,28-,29-/m1/s1
SMILES CC(=O)OC1C(O)C2C(C)(C)C(O)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)C3c3ccoc3)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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