input word = C00048658

Metabolite InformationStructural formula
Name Clavatadine A
Formula C14H18Br2N4O5
Mw 479.96439552
CAS RN 1033617-31-0
C_ID C00048658 ,
InChIKey XFAYUCCPAGOBFN-UHFFFAOYSA-N
InChICode InChI=1S/C14H18Br2N4O5/c15-8-6-9(21)7(5-10(22)23)11(16)12(8)25-14(24)20-4-2-1-3-19-13(17)18/h6,21H,1-5H2,(H,20,24)(H,22,23)(H4,17,18,19)
SMILES c1(c(cc(c(c1Br)CC(=O)O)O)Br)OC(=O)NCCCCNC(=N)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
--Suberea clavata Ref.
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