input word = C00052615

Metabolite InformationStructural formula
Name 23-desmethyllimocin B
Formula C28H40O5
Mw 456.28757439
CAS RN 181298-71-5
C_ID C00052615
InChIKey OIXCYABMOOFSNV-SZWUKTCSSA-N
InChICode InChI=1S/C28H40O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23-24,31H,7,9,11,13-15H2,1-6H3/t17-,18-,20+,21-,23+,24?,26-,27+,28-/m0/s1
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3COC(O)C3)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.