input word = C00053556

Metabolite InformationStructural formula
Name Nimbinone
Formula C18H22O3
Mw 286.15689457
CAS RN 116425-92-4
C_ID C00053556
InChIKey MMQUEGKYQBCKLZ-MAUKXSAKSA-N
InChICode InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-8,15,19H,5-6,9H2,1-4H3/t15-,18+/m0/s1
SMILES OC(C(C)=C1)=CC2=C1C(C[C@](C3(C)C)([H])[C@]2(C)CCC3=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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