Cluster scaffolds:

O NH O NH O OH O NH OH O NH HO O NH O NH O OH O NH O NH NH O NH O NH O NH O N 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
laspartomycin 0 0.69 0.66 0.64 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCCCC(C)C)CNC(=O)[C@@H]2CCCN2C1=O view laspartomycin NH O HO NH O NH O O OH NH O NH O O OH NH O NH O N O NH O O OH NH O NH O N O H H
CDA4b 1 0.66 0.64 0.58 1.0 Non detected. MIBiG Source CCCC1OC1C(=O)N[C@@H](CO)C(=O)N[C@@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H]([C@H](O)C(N)=O)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O[C@@H]1C view CDA4b O O NH OH O NH O NH NH O NH O OH O NH O OH O NH HO O NH O HO O NH O NH HO NH2 O O NH O OH O NH NH O O
CDA4a 2 0.66 0.64 0.58 1.0 Non detected. MIBiG Source CCCC1OC1C(=O)N[C@@H](CO)C(=O)N[C@@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H]([C@H](O)C(N)=O)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N/C(=C\c2c[nH]c3ccccc23)C(=O)O[C@@H]1C view CDA4a O O NH OH O NH O NH NH O NH O OH O NH O OH O NH HO O NH O HO O NH O NH HO NH2 O O NH O OH O NH NH O O
lipopeptide 8D1-2 3 0.65 0.63 0.58 1.0 Non detected. MIBiG Source CCCC(O)C(O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(O)CON)c1ccc(O)cc1)[C@@H](C)O view lipopeptide 8D1-2 HO OH O NH OH O NH O NH NH O NH O OH O NH O OH O NH O NH O OH O NH O NH O NH O OH O NH NH O OH OH O NH2 OH OH
Myxoprincomide-c506 4 0.57 0.64 0.42 1.0 Non detected. MIBiG Source CNC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN)CC(=O)NC(C)C(=O)O)C(C)C)C(C)(C)O view Myxoprincomide-c506 NH OH O NH O NH O NH HO O NH O O NH OH O NH OH O NH NH2 O NH O OH HO