input word = C00053562

Metabolite InformationStructural formula
Name Nimocin
Formula C33H38O4
Mw 498.2770097
CAS RN 104522-76-1
C_ID C00053562
InChIKey VNLNOVUTBGMAAB-CKQMGGGASA-N
InChICode InChI=1S/C33H38O4/c1-30(2)26-19-28(37-29(35)21-9-7-6-8-10-21)33(5)24-12-11-23(22-15-18-36-20-22)31(24,3)16-13-25(33)32(26,4)17-14-27(30)34/h6-10,12,14-15,17-18,20,23,25-26,28H,11,13,16,19H2,1-5H3/t23-,25+,26-,28+,31-,32+,33-/m0/s1
SMILES CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](OC(=O)c3ccccc3)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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