input word = C00043751

Metabolite InformationStructural formula
Name Nagelamide H
Formula C24H25Br4N11O5S
Mw 894.84943532
CAS RN 690627-61-3
C_ID C00043751 ,
InChIKey YKINYXUSZLKEHU-ZPUQHVIONA-N
InChICode InChI=1S/C24H25Br4N11O5S/c25-11-9-14(34-17(11)27)19(40)31-5-1-3-13-16(37-22(29)36-13)24(21(38-23(30)39-24)33-7-8-45(42,43)44)4-2-6-32-20(41)15-10-12(26)18(28)35-15/h1-4,9-10,34-35H,5-8H2,(H,31,40)(H,32,41)(H3,29,36,37)(H,42,43,44)(H3,30,33,38,39)/b3-1+,4-2+/t24-/m1/s1
SMILES c1(c([nH]c(n1)N)[C@@]1(/C=C/CNC(=O)c2[nH]c(c(c2)Br)Br)N=C(N=C1NCCS(=O)(=O)O)N)/C=C/CNC(=O)c1[nH]c(c(c1)Br)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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OrganismAgelas sp.
ReferenceEndo,J.Nat.Prod.,67,(2004),1262