input word = C00048786

Metabolite InformationStructural formula
Name Nakinadine B
Formula C27H40N2O2
Mw 424.30897854
CAS RN 1021487-41-1
C_ID C00048786 ,
InChIKey GUFZADOGCBFXDU-CYLJNIGPNA-N
InChICode InChI=1S/C27H40N2O2/c30-27(31)26(25-18-12-10-13-19-25)23-29-20-14-9-7-5-3-1-2-4-6-8-11-16-24-17-15-21-28-22-24/h10,12-13,15,17-19,21-22,26,29H,1-9,11,14,16,20,23H2,(H,30,31)/t26-/m1/s1
SMILES c1(cccnc1)CCCCCCCCCCCCCNC[C@H](c1ccccc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaNiphatidaeAmphimedon sp. Ref.
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