input word = C00036185

Metabolite InformationStructural formula
Name Nimocinol
(+)-Nimocinol
Formula C28H36O5
Mw 452.25627426
CAS RN 95260-96-1
C_ID C00036185 ,
InChIKey GDMYRVKWBYREMU-DGWKVBKBNA-N
InChICode InChI=1S/C28H36O5/c1-16(29)33-24-22(31)23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,24)6/h8,10-11,13-15,18,20,22-24,31H,7,9,12H2,1-6H3/t18-,20+,22+,23+,24+,26-,27+,28-/m0/s1
SMILES CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
ReferenceSiddiqui,Phytochem.,65,(2004),2363