Table 4.
List of important metabolites predicted as natural antibiotics from the results of the best machine learning model.
| Id | Metabolite | Formula | Molecular Mass (g/mol) |
|---|---|---|---|
| (I) | 2-hydroxyethyl hexadecanoate | C18H36O3 | 300.48 |
| (II) | N-[(+)-12-hydroxy-7 isojasmonyl]isoleucine | C18H29NO5 | 323.43 |
| (III) | gluconapin | C11H19NO9S2 | 373.40 |
| (IV) | 3-phenylpropionitrile | C9H9N | 131.18 |
| (V) | flamenol | C7H8O3 | 140.14 |
| (VI) | glucobrassicanapin(1−) | C16H19N2O9S2 | 446.46 |
| (VII) | 2-chlorobenzoic acid | C7H5ClO2 | 156.57 |
| (VIII) | 8-nitroguanosine 3′,5′-cyclic monophosphate | C10H11N6O9P | 390.21 |
| (IX) | 1,3-dioctanoylglycerol | C19H36O5 | 344.49 |
| (X) | PG(18:2(9Z,12Z)/16:0) | C40H75O10P | 758.99 |
| (XI) | 3-methoxybenzaldehyde | C8H8O2 | 138.15 |
| (XII) | Methyl stearate | C19H38O2 | 298.50 |
| (XIII) | 1-naphthyl β-D-glucoside | C16H18O6 | 306.32 |
| (XIV) | sinapine | C16H24NO5+ | 310.36 |
| (XV) | 3-butenyldesulfoglucosinolate | C12H23NO7S | 341.39 |
| (XVI) | 1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1′-sn-glycerol-3′-phosphate) | C18H34O2 | 282.46 |
| (XVII) | glucobrassicanapin | C12H21NO9S2 | 399.43 |
| (XVIII) | gluconapin(1−) | C11H18NO9S2 | 373.40 |
| (XIX) | 5-methoxyindole-3-acetic acid | C11H11NO3 | 205.21 |
| (XX) | α-allenylagmatine | C8H16N4 | 168.24 |