input word = C00048790

Metabolite InformationStructural formula
Name Nakinadine F
Formula C46H67N3O2
Mw 693.5233284
CAS RN 1021486-59-8
C_ID C00048790 ,
InChIKey XMZHAKHAERJJSJ-DYMHTNKONA-N
InChICode InChI=1S/C46H67N3O2/c50-46(51)45(43-33-23-20-24-34-43)44(35-25-18-14-10-6-3-5-9-13-17-22-30-42-32-28-37-48-40-42)49-38-26-19-15-11-7-2-1-4-8-12-16-21-29-41-31-27-36-47-39-41/h12-13,16-17,20,23-24,27-28,31-34,36-37,39-40,44-45,49H,1-11,14-15,18-19,21-22,25-26,29-30,35,38H2,(H,50,51)/b16-12-,17-13-/t44-,45+/m1/s1
SMILES c1(cccnc1)CC/C=C\CCCCCCCCC[C@@H](NCCCCCCCCCC/C=C\CCc1cccnc1)[C@@H](C(=O)O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaNiphatidaeAmphimedon sp. Ref.
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