input word = C00043744

Metabolite InformationStructural formula
Name Nagelamide A
Formula C22H22Br4N10O2
Mw 773.86607162
CAS RN 690627-54-4
C_ID C00043744 ,
InChIKey QLDOUIZDLPGMQO-AABAUXQYNA-N
InChICode InChI=1S/C22H22Br4N10O2/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/h1-2,6-9,32-33H,3-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+/t9-/m0/s1
SMILES c1([nH]c(c(n1)/C=C/CNC(=O)c1[nH]c(c(c1)Br)Br)[C@H](c1cnc([nH]1)N)CCNC(=O)c1[nH]c(c(c1)Br)Br)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