input word = C00043746

Metabolite InformationStructural formula
Name Nagelamide C
Formula C22H20Br4N10O2
Mw 771.85042156
CAS RN 690627-56-6
C_ID C00043746 ,
InChIKey HVSCSPHJFJDZCZ-BARZBYPCSA-N
InChICode InChI=1S/C22H20Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h1-3,6-8,32-33H,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+,9-3-
SMILES Nc1ncc(/C(=C/CNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH]c(N)nc2/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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