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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

Fosfomycin 0 0.51 0.25 0.58 1.0 Non detected. MIBiG Source C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Na+].[Na+] view Fosfomycin
d-cycloserine 1 0.49 0.17 0.61 1.0 Non detected. MIBiG Source N[C@@H]1CONC1=O view d-cycloserine
Phosphinothricintripeptide 2 0.48 0.18 0.57 1.0 Non detected. MIBiG Source CP(=O)([O-])CCC([NH3+])C(=O)[O-] view Phosphinothricintripeptide
ectoine 3 0.48 0.18 0.57 1.0 Non detected. MIBiG Source CC1=NCC[C@@H](C(=O)O)N1 view ectoine
terrein 4 0.47 0.17 0.57 1.0 Non detected. MIBiG Source C/C=C/C1=CC(=O)[C@@H](O)[C@@H]1O view terrein
FR900098 5 0.47 0.16 0.57 1.0 Non detected. MIBiG Source CC(=O)N(O)CCCP(=O)(O)O view FR900098
terreic acid 6 0.47 0.15 0.57 1.0 Non detected. MIBiG Source CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O view terreic acid
2-methylisoborneol 7 0.47 0.17 0.56 1.0 Non detected. MIBiG Source CC1(O)CC2CCC1(C)C2(C)C view 2-methylisoborneol
desosamine 8 0.46 0.15 0.56 1.0 Non detected. MIBiG Source CC1CC(N(C)C)C(O)C(O)O1 view desosamine
desosamine 9 0.46 0.15 0.56 1.0 Non detected. MIBiG Source C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](O)O1 view desosamine
3-methylarginine 10 0.46 0.15 0.56 1.0 Non detected. MIBiG Source CC(CC[NH+]=C(N)N)C([NH3+])C(=O)[O-] view 3-methylarginine
shanorellin 11 0.46 0.14 0.56 1.0 Non detected. MIBiG Source CC1=C(O)C(C)=C(CO)C(=O)C1=O view shanorellin
asperlactone 12 0.46 0.14 0.56 1.0 Non detected. MIBiG Source C[C@@H]1O[C@H]1C1=C[C@H]([C@H](C)O)OC1=O view asperlactone
2-Hydroxymethylclavam 13 0.45 0.11 0.57 1.0 Non detected. MIBiG Source O=C1C[C@@H]2O[C@@H](CO)CN12 view 2-Hydroxymethylclavam
2-deoxystreptamine 14 0.45 0.11 0.57 1.0 Non detected. MIBiG Source NC1CC(N)C(O)C(O)C1O view 2-deoxystreptamine
Clavam-2-carboxylate 15 0.45 0.11 0.57 1.0 Non detected. MIBiG Source O=C(O)[C@H]1CN2C(=O)C[C@@H]2O1 view Clavam-2-carboxylate
Argimycin PVI 26 0.45 0.12 0.56 1.0 Non detected. MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCCC[C@H]12 view Argimycin PVI
citrulline 16 0.45 0.1 0.57 1.0 Non detected. MIBiG Source NC(=O)NCCC[C@H](N)C(=O)O view citrulline
2-hydroxyethylclavam 17 0.45 0.1 0.57 1.0 Non detected. MIBiG Source O=C1C[C@@H]2O[C@@H](CCO)CN12 view 2-hydroxyethylclavam
fusaric acid 18 0.45 0.13 0.56 1.0 Non detected. MIBiG Source CCCCc1ccc(C(=O)O)nc1 view fusaric acid
Anatoxin-a 19 0.45 0.13 0.56 1.0 Non detected. MIBiG Source CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 view Anatoxin-a
Argimycin PIII 25 0.45 0.12 0.56 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C1=NCCCC1 view Argimycin PIII
geosmin 20 0.45 0.12 0.56 1.0 Non detected. MIBiG Source C[C@H]1CCC[C@@]2(C)CCCC[C@]12O view geosmin
holomycin 21 0.45 0.12 0.56 1.0 Non detected. MIBiG Source CC(=O)Nc1c2sscc-2[nH]c1=O view holomycin
(-)-Mellein 22 0.45 0.12 0.56 1.0 Non detected. MIBiG Source C[C@@H]1Cc2cccc(O)c2C(=O)O1 view (-)-Mellein
Homoanatoxin-a 23 0.45 0.12 0.56 1.0 Non detected. MIBiG Source CCC(=O)C1=CCC[C@@H]2CC[C@H]1N2 view Homoanatoxin-a
Argimycin PIX 24 0.45 0.12 0.56 1.0 Non detected. MIBiG Source C/C=C/C=C/CCC1CCCCN1 view Argimycin PIX
2,4-Diacetylphloroglucinol 27 0.45 0.13 0.55 1.0 Non detected. MIBiG Source CC(=O)c1c(O)cc(O)c(C(C)=O)c1O view 2,4-Diacetylphloroglucinol
thiolutin 28 0.44 0.12 0.55 1.0 Non detected. MIBiG Source CC(=O)Nc1c2sscc-2n(C)c1=O view thiolutin
cetoniacytone A 29 0.44 0.12 0.55 1.0 Non detected. MIBiG Source CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O view cetoniacytone A
2,5-dialkylresorcinols 35 0.44 0.11 0.54 1.0 Non detected. MIBiG Source CC(C)CCCc1cc(O)c(C(C)C)c(O)c1 view 2,5-dialkylresorcinols
albaflavenone 36 0.44 0.11 0.54 1.0 Non detected. MIBiG Source CC1=C2C(=O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C view albaflavenone
coronafacic acid 30 0.44 0.11 0.55 1.0 Non detected. MIBiG Source CC[C@H]1C=C(C(=O)O)[C@H]2CCC(=O)[C@H]2C1 view coronafacic acid
(-)-delta-cadinene 31 0.44 0.11 0.55 1.0 Non detected. MIBiG Source CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1 view (-)-delta-cadinene
Argimycin PV 32 0.44 0.11 0.55 1.0 Non detected. MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCCC[C@]12O view Argimycin PV
(+)-T-muurolol 33 0.44 0.11 0.55 1.0 Non detected. MIBiG Source CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1 view (+)-T-muurolol
Argimycin PIV 34 0.44 0.11 0.55 1.0 Non detected. MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCC[C@@H](O)[C@]12O view Argimycin PIV
A-factor 37 0.43 0.1 0.54 1.0 Non detected. MIBiG Source CC(C)CCCCC(=O)C1C(=O)OC[C@H]1CO view A-factor
SCB1 38 0.43 0.1 0.54 1.0 Non detected. MIBiG Source CC(C)CCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO view SCB1
citrinin 39 0.43 0.1 0.54 1.0 Non detected. MIBiG Source CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(=C(O)O)C1=O view citrinin
itaconic acid 40 0.38 0.15 0.39 1.0 Non detected. MIBiG Source C=C(CC(=O)O)C(=O)O view itaconic acid
2-amino-4-methoxy-trans-3-butenoic acid 41 0.37 0.14 0.39 1.0 Non detected. MIBiG Source CO/C=C/[C@H](N)C(=O)O view 2-amino-4-methoxy-trans-3-butenoic acid
methylenomycin 42 0.37 0.15 0.37 1.0 Non detected. MIBiG Source C=C1C(=O)C2(C)OC2(C)C1C(=O)O view methylenomycin
thiolactomycin 43 0.36 0.14 0.37 1.0 Non detected. MIBiG Source C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1O view thiolactomycin
depudecin 44 0.36 0.12 0.37 1.0 Non detected. MIBiG Source C=C[C@@H](O)[C@@H]1O[C@H]1/C=C/C1O[C@H]1[C@@H](C)O view depudecin
beta-trans-bergamotene 45 0.36 0.12 0.37 1.0 Non detected. MIBiG Source C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C view beta-trans-bergamotene
(+)-eremophilene 46 0.35 0.11 0.37 1.0 Non detected. MIBiG Source C=C(C)C1CCC2=CCCC(C)C2(C)C1 view (+)-eremophilene
sodorifen 47 0.35 0.12 0.36 1.0 Non detected. MIBiG Source C=C1[C@H](C)[C@@]2(C)C(C)=C(C)[C@](C)(C2C)[C@@H]1C view sodorifen
Tu 3010 48 0.35 0.11 0.36 1.0 Non detected. MIBiG Source C=C/C(C)=C/[C@@]1(CC(N)=O)SC(=O)C(CC)=C1O view Tu 3010
U-68204 49 0.34 0.1 0.36 1.0 Non detected. MIBiG Source C=C/C(C)=C/[C@@]1(CC)SC(=O)C(CC(N)=O)=C1O view U-68204

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