Cluster scaffolds:

O NH O N O N O N O N O NH O N O N O NH O N O NH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
Orfamide B 6 0.69 0.49 0.76 1.0 Non detected. MIBiG Source CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C view Orfamide B OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
cyclosporin 0 0.92 0.87 0.93 1.0 Non detected. MIBiG Source C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C view cyclosporin OH O NH O N O N O NH O N O NH O NH O N O N O N O N
Poaeamide B 1 0.7 0.49 0.78 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)OC1C view Poaeamide B OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
aureobasidin A1 2 0.7 0.59 0.71 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O view aureobasidin A1 O O OH N O NH O N O NH O N O N O NH O N O H
massetolide A 3 0.69 0.47 0.78 1.0 Non detected. MIBiG Source CCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@@H]1C view massetolide A HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH OH O NH O O
WLIP 4 0.69 0.47 0.77 1.0 Non detected. MIBiG Source CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C view WLIP HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH OH O NH O O
viscosin 5 0.69 0.47 0.77 1.0 Non detected. MIBiG Source CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C view viscosin HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH OH O NH O O
Orfamide C 7 0.69 0.49 0.76 1.0 Non detected. MIBiG Source CCCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C view Orfamide C OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
Orfamide A 8 0.68 0.49 0.75 1.0 Non detected. MIBiG Source CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C view Orfamide A HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH O NH OH O NH O O
viridogrisein 9 0.67 0.47 0.73 1.0 Non detected. MIBiG Source CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C1=O view viridogrisein NH O NH O N OH O O N O NH O N O N O OH N O H
prenylagaramide C 10 0.67 0.52 0.7 1.0 Non detected. MIBiG Source CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O view prenylagaramide C NH O NH O NH O O NH O NH O NH2 O NH O N O NH O N O H H
Bananamide 3 11 0.66 0.48 0.72 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C view Bananamide 3 OH O NH O NH O OH O NH O NH O NH O NH NH2 O O NH O NH O O
Taxlllaid 12 0.66 0.48 0.71 1.0 Non detected. MIBiG Source CC(C)CCCC(=O)N[C@@H]1C(=O)NC(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O[C@@H]1C view Taxlllaid O NH O NH O NH O NH O NH O NH O NH O O
Bananamide 2 13 0.66 0.48 0.71 1.0 Non detected. MIBiG Source CCCCCC/C=C/CC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C view Bananamide 2 OH O NH O NH O OH O NH O NH O NH O NH NH2 O O NH O NH O O
Bananamide 1 14 0.66 0.48 0.71 1.0 Non detected. MIBiG Source CCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C view Bananamide 1 OH O NH O NH O OH O NH O NH O NH O NH NH2 O O NH O NH O O
xantholysin B 15 0.66 0.47 0.71 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC1COC(=O)C(C(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C view xantholysin B OH O NH O NH O OH O NH NH2 O O NH O NH O NH H2N O O NH O O NH O NH2 O NH O NH O NH O H2N O NH O NH