input word = C00043745

Metabolite InformationStructural formula
Name Nagelamide B
Formula C22H22Br4N10O3
Mw 789.86098624
CAS RN 690627-55-5
C_ID C00043745 ,
InChIKey HFPWHJMMBLRRMI-YUVFPIBTNA-N
InChICode InChI=1S/C22H22Br4N10O3/c23-8-4-11(32-17(8)25)19(38)29-3-1-2-10-16(36-22(28)34-10)15(13-6-31-21(27)35-13)14(37)7-30-20(39)12-5-9(24)18(26)33-12/h1-2,4-6,14-15,32-33,37H,3,7H2,(H,29,38)(H,30,39)(H3,27,31,35)(H3,28,34,36)/b2-1+/t14-,15-/m1/s1
SMILES c1([nH]c(c(n1)/C=C/CNC(=O)c1[nH]c(c(c1)Br)Br)[C@H](c1cnc([nH]1)N)[C@@H](CNC(=O)c1[nH]c(c(c1)Br)Br)O)N
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