input word = C00049627

Metabolite InformationStructural formula
Name Azadironolide
(+)-Azadironolide
Formula C28H36O6
Mw 468.25118888
CAS RN 240811-28-3
C_ID C00049627 ,
InChIKey NIASTLFJLAWIRP-DJGJBMKXNA-N
InChICode InChI=1S/C28H36O6/c1-15(29)33-22-14-20-25(2,3)21(30)10-12-27(20,5)19-9-11-26(4)17(7-8-18(26)28(19,22)6)16-13-23(31)34-24(16)32/h8,10,12-13,17,19-20,22-23,31H,7,9,11,14H2,1-6H3/t17-,19+,20+,22+,23+,26+,27+,28-/m0/s1
SMILES C1[C@H]2[C@](C3=CC[C@H]([C@]3(C1)C)C1=C[C@@H](OC1=O)O)([C@@H](C[C@H]1[C@@]2(C=CC(=O)C1(C)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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