input word = C00055400

Metabolite InformationStructural formula
Name N-Demethylnummularine D
Formula C36H49N5O6
Mw 647.36828433
CAS RN 53947-95-8
C_ID C00055400
InChIKey BZZQDUJJXJCFBF-ICFOKQHNSA-N
InChICode InChI=1S/C36H49N5O6/c1-7-23(4)31-34(43)38-17-15-25-21-26(13-14-29(25)46-6)47-30-16-18-41(32(30)35(44)40-31)36(45)28(19-22(2)3)39-33(42)27(37-5)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,43)(H,39,42)(H,40,44)/b17-15-
SMILES CNC(C(NC(C(N1C(C(NC(C(CC)C)C(N/C=CC2=C(OC)C=CC(O3)=C2)=O)=O)C3CC1)=O)CC(C)C)=O)CC4=CC=CC=C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba Ref.
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