Cluster scaffolds:

OH OH O NH HO O NH NH2 O NH NH OH O NH OH O NH OH O NH OH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
cahuitamycin B 0 0.76 0.65 0.78 1.0 Non detected. MIBiG Source O=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccccc1O)C(=O)N1NCCC[C@@H]1C(=O)NCCC(=O)O view cahuitamycin B O N OH NH O OH NH O OH NH O OH O N NH O NH O OH
serinocyclin A 1 0.75 0.62 0.79 1.0 Non detected. MIBiG Source NCC[C@H](O)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C2(CC2)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)CCNC1=O view serinocyclin A NH2 OH NH O OH NH O OH N O NH O OH NH O OH NH O NH O H
Cyclotine 2 0.74 0.55 0.82 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Cyclotine NH O N O OH NH O NH O OH NH O H
Cyclochlorotine B 3 0.73 0.54 0.81 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)CCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Cyclochlorotine B NH O Cl N O OH NH O NH O OH NH O H
cyclochlorotine 4 0.72 0.53 0.79 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view cyclochlorotine NH O Cl Cl N O OH NH O NH O OH NH O H
Ambactin 5 0.72 0.6 0.75 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC1=O view Ambactin NH O NH O NH2 O NH O OH NH O NH2 NH O NH O
Hydroxy-cyclochlorotine 6 0.71 0.52 0.78 1.0 Non detected. MIBiG Source CC(C)[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Hydroxy-cyclochlorotine NH O Cl Cl N O OH NH O NH O OH NH O H
Deoxy-Cyclochlorotine 7 0.71 0.51 0.78 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](C)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Deoxy-Cyclochlorotine NH O Cl Cl N O NH O NH O OH NH O H
nostocyclopeptide 8 0.7 0.5 0.78 1.0 Non detected. MIBiG Source CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)/N=C\[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@H](CO)NC1=O view nostocyclopeptide NH O NH2 O NH O NH O HO N NH O N O OH NH O H
Desmethylsalinamide E 9 0.7 0.48 0.78 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](c2ccc(O)cc2)NC1=O view Desmethylsalinamide E NH O NH O OH O O OH NH O HO NH O N O OH NH O
Serobactin A 10 0.7 0.53 0.76 1.0 Non detected. MIBiG Source CCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O)C(O)C(=O)O view Serobactin A O NH O NH HO O NH O NH O NH OH O NH N OH O OH OH O OH OH O HO
cahuitamycin A 11 0.7 0.52 0.76 1.0 Non detected. MIBiG Source O=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)N1NCCC[C@@H]1C(=O)NCCC(=O)O view cahuitamycin A O N OH NH O HO NH O O OH N O N NH O NH O OH
Serobactin B 12 0.7 0.52 0.75 1.0 Non detected. MIBiG Source CCCCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O)C(O)C(=O)O view Serobactin B O NH O NH HO O NH O NH O NH HO O NH N OH O OH OH O OH HO O HO
malleobactin B 13 0.7 0.67 0.65 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCCNO)NC=O)[C@@H](O)C(=O)O view malleobactin B H2N NH O N OH O NH O OH NH O NH O NH HO NH O HO O OH
emericellamide A 14 0.69 0.46 0.78 1.0 Non detected. MIBiG Source CCCCCC[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C view emericellamide A O O NH O NH O NH O NH O NH O
cahuitamycin C 15 0.69 0.52 0.74 1.0 Non detected. MIBiG Source Cc1cccc(O)c1C1=N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCCN(O)C=O)C(=O)N2NCCC[C@@H]2C(=O)NCCC(=O)O)CO1 view cahuitamycin C OH N O NH OH O NH N OH O O N NH O NH O OH O
Serobactin C 16 0.69 0.51 0.74 1.0 Non detected. MIBiG Source CCCCCCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O)C(O)C(=O)O view Serobactin C O NH O NH OH O NH O NH O NH OH O NH N OH O OH HO O HO OH O OH
malleobactin C 17 0.68 0.6 0.65 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCCN=O)NC=O)[C@@H](O)C(=O)O view malleobactin C H2N NH O N OH O NH O OH NH O NH O N O NH O HO O OH
amychelin 18 0.68 0.64 0.63 1.0 Non detected. MIBiG Source CC(O)[C@@H](NC(=O)C[C@@H](O)C[C@@H](O)[C@@H](CO)NC(=O)c1ccccc1O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[N+](C)(C)C1 view amychelin HO NH O OH OH OH NH O HO O NH OH O NH HO O NH OH OH N+
iturin 19 0.67 0.48 0.73 1.0 Non detected. MIBiG Source CCCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1 view iturin O NH NH2 O O NH OH O NH NH2 O O NH NH2 O O N O NH NH2 O O NH OH O NH
Malleobactin A 20 0.67 0.59 0.64 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC[N+](=O)[O-])NC=O)[C@@H](O)C(=O)O view Malleobactin A H2N NH O N OH O NH O OH NH O NH O N+ O O- NH O HO O OH
verlamelin 21 0.66 0.47 0.71 1.0 Non detected. MIBiG Source CCCCCCCCCC1CCCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCC(N)=O)C(=O)NC(Cc2ccccc2O)C(=O)NC(C(C)C)C(=O)O1 view verlamelin O NH OH O NH O N O NH NH2 O O NH OH O NH O O
bromoalterochromide A 22 0.66 0.5 0.69 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](NC(=O)/C=C/C=C/C=C/C=C/c2ccc(O)c(Br)c2)[C@@H](C)OC1=O view bromoalterochromide A NH O H2N O NH O H2N O NH O NH O NH O OH Br O O
ferrichrome 23 0.65 0.47 0.7 1.0 Non detected. MIBiG Source CC(=O)N([O-])CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN([O-])C(C)=O)NC(=O)C(CCCN([O-])C(C)=O)NC1=O.[55Fe+3] view ferrichrome O N O- NH O NH O NH O NH O N O- O NH O N O- O NH O 55Fe+3
viomycin 24 0.65 0.55 0.64 1.0 Non detected. MIBiG Source NCCC[C@@H](N)CC(=O)N[C@@H]1CNC(=O)[C@@H](C2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC1=O.O=S(=O)(O)O view viomycin H2N NH2 O NH NH O OH N H2N NH NH O NH NH2 O NH O OH NH O HO NH O O S O OH OH
micropeptin K139 25 0.64 0.45 0.7 1.0 Non detected. MIBiG Source CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2CCC(O)N(C2=O)[C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C view micropeptin K139