Cluster scaffolds:

NH2 OH O OH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
xanthomonadin 0 0.59 0.59 0.74 0.0 Glyco:0/1 MIBiG Source COc1cc(/C(Br)=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC(C)C)ccc1Br view xanthomonadin O Br O O Br
APE Ec 1 0.53 0.53 0.67 0.0 Glyco:0/1 MIBiG Source COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(O)c(C)c1 view APE Ec O O OH
APE Vf 2 0.52 0.52 0.65 0.0 Glyco:0/1 MIBiG Source COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(C)c(O)c(C)c1 view APE Vf O O OH
phenalamide 3 0.48 0.55 0.55 0.0 Glyco:0/1 MIBiG Source CC(/C=C/C=C/C=C/C=C(\C)C(=O)NC(C)CO)=C\C(C)C(O)/C(C)=C/C(C)CCc1ccccc1 view phenalamide O NH HO OH
AK-toxin 4 0.37 0.52 0.35 0.0 Glyco:0/1 MIBiG Source CC(=O)NC(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C1(C)CO1)C(C)c1ccccc1 view AK-toxin O NH O O O HO O