input word = C00029764

Metabolite InformationStructural formula
Name Azadirone
Formula C28H36O4
Mw 436.26135964
CAS RN 25279-67-8
C_ID C00029764 ,
InChIKey XXIKKMLIDXLAIK-ISGVNTFGNA-N
InChICode InChI=1S/C28H36O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-14,16,19,21-22,24H,7,9,12,15H2,1-6H3/t19-,21+,22+,24+,26-,27+,28-/m0/s1
SMILES C1=C[C@]2([C@@H](C(C1=O)(C)C)C[C@H]([C@@]1([C@@H]2CC[C@@]2(C1=CC[C@H]2c1cocc1)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeCedrela sinensis Ref.
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OrganismCedrela sinensis
ReferenceMitsui,Chem.Pharm.Bull.,55,(2007),1442