input word = C00036610

Metabolite InformationStructural formula
Name 6alpha-O-Acetyl-7-deacetylnimocinol
(+)-6alpha-O-Acetyl-7-deacetylnimocinol
Formula C28H36O5
Mw 452.25627426
CAS RN 227288-20-2
C_ID C00036610 ,
InChIKey GENUPFGLSDVCSZ-DGWKVBKBNA-N
InChICode InChI=1S/C28H36O5/c1-16(29)33-22-23-25(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(20,6)24(22)31/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@@]2(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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