Cluster scaffolds:

NH HO O NH O NH NH NH H2N O NH O NH NH NH NH2 O HO

2

OH O O NH 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
serinocyclin A 4 0.68 0.52 0.72 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
Bicornutin A2 0 0.72 0.6 0.75 1.0 Non detected. MIBiG Source CC(C)C[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc1ccccc1 view Bicornutin A2 NH O NH2 NH NH NH2 O NH NH HN NH2 O NH NH HN NH2 O NH NH NH H2N O NH
Bicornutin A1 1 0.72 0.63 0.72 1.0 Non detected. MIBiG Source CC(C)C[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCN view Bicornutin A1 NH O NH2 NH NH H2N O NH NH HN NH2 O NH NH NH NH2 O NH NH NH NH2 O NH NH2
Serobactin A 2 0.7 0.54 0.74 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
Serobactin B 3 0.68 0.53 0.72 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
cupriachelin 5 0.68 0.59 0.67 1.0 Non detected. MIBiG Source CCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN(O)C(=O)C[C@H](C)O)C(=O)O)[C@H](O)C(=O)O)[C@H](O)C(=O)O view cupriachelin O NH O NH H2N O NH O NH O NH N OH O OH O OH HO O OH OH O HO
HC-toxin 6 0.67 0.46 0.74 1.0 Non detected. MIBiG Source C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@@H](C)NC1=O view HC-toxin NH O N O O O NH O NH O H
micropeptin K139 7 0.67 0.49 0.73 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 O NH O OH O NH O NH N H2N NH2 O NH OH N O O N OH O NH O O
Serobactin C 8 0.67 0.51 0.71 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
ferrichrome 9 0.67 0.5 0.71 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
Myxochromide D 10 0.67 0.5 0.71 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide D O N O NH O NH O NH O NH NH2 O O O
emericellamide A 11 0.67 0.54 0.68 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
cyanopeptolin 12 0.66 0.48 0.72 1.0 Non detected. MIBiG Source CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O view cyanopeptolin NH O N O N O HO NH O N NH2 NH2 NH O NH O OH O S O O OH O O H
Myxochromide D 13 0.66 0.5 0.7 1.0 Non detected. MIBiG Source CC/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide D O N O NH O NH O NH O NH NH2 O O O
delftibactin A 14 0.66 0.52 0.67 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C(C)N)C(O)C(=O)O)C(C)O)C(=O)NC(CCCN(O)C=O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC1CCCN(O)C1=O view delftibactin A NH O NH O NH O NH O HO NH2 OH O OH HO O NH N OH O O NH OH O NH N H2N NH2 O NH N OH O
Myxoprincomide-c506 15 0.66 0.54 0.66 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
cahuitamycin B 16 0.65 0.46 0.7 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
Taxlllaid 17 0.65 0.49 0.68 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
emericellamide B 18 0.65 0.53 0.66 1.0 Non detected. MIBiG Source CCCCCC[C@H](C)C[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 B O O NH O NH O NH O NH O NH O
delftibactin B 19 0.65 0.52 0.66 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C(C)N)C(O)C(=O)O)C(C)O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC1CCCN(O)C1=O view delftibactin B NH O NH O NH O NH O HO NH2 OH O OH HO O NH N OH O O NH OH O NH N H2N NH2 O NH N OH O
malleobactin B 20 0.65 0.54 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](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
Myxochromide B 21 0.64 0.46 0.69 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide B O N O NH O NH O NH O N O NH O NH NH2 O O O H
Myxochromide A 22 0.64 0.46 0.68 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](C(N)=O)CCC(=O)O[C@@H]1C view Myxochromide A O N O NH O NH O N O NH O NH NH2 O O O H
Myxochromide S 23 0.64 0.49 0.67 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide S