Cluster scaffolds:

H2N

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
isopropylstilbene 3 0.49 0.44 0.65 0.0 Cl:0/1 MIBiG Source CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O view isopropylstilbene OH OH
5-Acetyl-5,10-dihydrophenazine-1-carboxylic acid 0 0.51 0.42 0.71 0.0 Cl:0/1 MIBiG Source CC(=O)c1cccc2c1Nc1ccccc1N2C(C)=O view 5-Acetyl-5,10-dihydrophenazine-1-carboxylic acid O NH N O
albonoursin 1 0.51 0.44 0.69 0.0 Cl:0/1 MIBiG Source CC(C)/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O view albonoursin NH O NH O
Benzylpenicillin 2 0.5 0.44 0.68 0.0 Cl:0/1 MIBiG Source CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+] view Benzylpenicillin S NH O O N O O- Na+ H
haliamide 4 0.47 0.41 0.63 0.0 Cl:0/1 MIBiG Source C=CC(C)C/C(C)=C/C=C/C(C)NC(=O)c1ccccc1 view haliamide NH O