SeMPI 2.0

Cluster scaffolds:

O NH O NH H2N O NH OH O NH OH O NH NH OH O NH NH 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
malleobactin C 1 0.68 0.68 0.84 0.0 Cl:0/1 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
Malleobactin A 2 0.67 0.68 0.83 0.0 Cl:0/1 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
serinocyclin A 3 0.61 0.64 0.74 0.0 Cl:0/1 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
viomycin 4 0.55 0.6 0.66 0.0 Cl:0/1 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
malleobactin B 0 0.7 0.76 0.84 0.0 Cl:0/1 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

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