Cluster scaffolds:
1 |
Putative metabolites:
Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
2-Hydroxymethyl...
0
0.65
0.38
0.76
1.0
Non detected.
MIBiG
Source
O=C1C[C@@H]2O[C@@H](CO)CN12
view
2-Hydroxymethylclavam
clavulanic acid
1
0.64
0.34
0.78
1.0
Non detected.
MIBiG
Source
O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21
view
clavulanic acid
2-hydroxyethylc...
2
0.62
0.35
0.73
1.0
Non detected.
MIBiG
Source
O=C1C[C@@H]2O[C@@H](CCO)CN12
view
2-hydroxyethylclavam
chloramphenicol
3
0.58
0.39
0.62
1.0
Non detected.
MIBiG
Source
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl
view
chloramphenicol
tabtoxin
4
0.58
0.38
0.62
1.0
Non detected.
MIBiG
Source
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC[C@]1(O)CNC1=O)C(=O)O
view
tabtoxin
Bicyclomycin
5
0.58
0.41
0.6
1.0
Non detected.
MIBiG
Source
C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@]1(O)NC2=O
view
Bicyclomycin
cetoniacytone A
6
0.58
0.46
0.56
1.0
Non detected.
MIBiG
Source
CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O
view
cetoniacytone A
myxalamid
7
0.57
0.37
0.62
1.0
Non detected.
MIBiG
Source
CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/C(C)C
view
myxalamid
eponemycin
8
0.56
0.41
0.56
1.0
Non detected.
MIBiG
Source
C=C(C)C[C@H](NC(=O)C(CO)NC(=O)CCCCC(C)C)C(=O)[C@@]1(CO)CO1
view
eponemycin
ergometrine
9
0.55
0.32
0.61
1.0
Non detected.
MIBiG
Source
C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
view
ergometrine
Showing 1 to 10 of 50 entries
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2-Hydroxymethyl... | 0 | 0.65 | 0.38 | 0.76 | 1.0 | Non detected. | MIBiG | Source | O=C1C[C@@H]2O[C@@H](CO)CN12 | view | 2-Hydroxymethylclavam | ||
| clavulanic acid | 1 | 0.64 | 0.34 | 0.78 | 1.0 | Non detected. | MIBiG | Source | O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 | view | clavulanic acid | ||
| 2-hydroxyethylc... | 2 | 0.62 | 0.35 | 0.73 | 1.0 | Non detected. | MIBiG | Source | O=C1C[C@@H]2O[C@@H](CCO)CN12 | view | 2-hydroxyethylclavam | ||
| chloramphenicol | 3 | 0.58 | 0.39 | 0.62 | 1.0 | Non detected. | MIBiG | Source | O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | view | chloramphenicol | ||
| tabtoxin | 4 | 0.58 | 0.38 | 0.62 | 1.0 | Non detected. | MIBiG | Source | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC[C@]1(O)CNC1=O)C(=O)O | view | tabtoxin | ||
| Bicyclomycin | 5 | 0.58 | 0.41 | 0.6 | 1.0 | Non detected. | MIBiG | Source | C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@]1(O)NC2=O | view | Bicyclomycin | ||
| cetoniacytone A | 6 | 0.58 | 0.46 | 0.56 | 1.0 | Non detected. | MIBiG | Source | CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O | view | cetoniacytone A | ||
| myxalamid | 7 | 0.57 | 0.37 | 0.62 | 1.0 | Non detected. | MIBiG | Source | CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/C(C)C | view | myxalamid | ||
| eponemycin | 8 | 0.56 | 0.41 | 0.56 | 1.0 | Non detected. | MIBiG | Source | C=C(C)C[C@H](NC(=O)C(CO)NC(=O)CCCCC(C)C)C(=O)[C@@]1(CO)CO1 | view | eponemycin | ||
| ergometrine | 9 | 0.55 | 0.32 | 0.61 | 1.0 | Non detected. | MIBiG | Source | C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | view | ergometrine |
Showing 1 to 10 of 50 entries