input word = C00053612

Metabolite InformationStructural formula
Name O-Methylazadironolide
Formula C29H38O6
Mw 482.26683895
CAS RN 642066-48-6
C_ID C00053612
InChIKey BVJTWZUQDZHHBX-YPHRODJSSA-N
InChICode InChI=1S/C29H38O6/c1-16(30)34-23-15-21-26(2,3)22(31)11-13-28(21,5)20-10-12-27(4)18(8-9-19(27)29(20,23)6)17-14-24(33-7)35-25(17)32/h9,11,13-14,18,20-21,23-24H,8,10,12,15H2,1-7H3/t18-,20+,21-,23+,24?,27-,28+,29-/m0/s1
SMILES COC1C=C([C@@H]2CC=C3[C@@]4(C)[C@H](CC[C@]32C)[C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2C[C@H]4OC(C)=O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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