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 c1([nH]c(c(n1)/C=C/CNC(=O)c1[nH]c(c(c1)Br)Br)/C(=C\CNC(=O)c1[nH]c(c(c1)Br)Br)/c1cnc([nH]1)N)N
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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OrganismAgelas sp.
ReferenceEndo,J.Nat.Prod.,67,(2004),1262