SeMPI 2.0

Cluster scaffolds:

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

2

O *

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
malleobactin B 0 0.62 0.68 0.73 0.0 Glyco:0/2 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
Bicornutin A1 1 0.61 0.58 0.78 0.0 Glyco:0/2 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
malleobactin C 2 0.59 0.61 0.73 0.0 Glyco:0/2 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 3 0.59 0.61 0.72 0.0 Glyco:0/2 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
cupriachelin 4 0.58 0.59 0.71 0.0 Glyco:0/2 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

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