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Overview

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Cluster scaffolds:

1

2

Putative metabolites:

Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure

terrein 0 0.38 0.3 0.53 0.0 Glyco:0/1 MIBiG Source C/C=C/C1=CC(=O)[C@@H](O)[C@@H]1O view terrein
Fosfomycin 1 0.36 0.36 0.44 0.0 Glyco:0/1 MIBiG Source C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Na+].[Na+] view Fosfomycin
(-)-delta-cadinene 7 0.33 0.21 0.5 0.0 Glyco:0/1 MIBiG Source CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1 view (-)-delta-cadinene
terreic acid 2 0.35 0.23 0.53 0.0 Glyco:0/1 MIBiG Source CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O view terreic acid
Argimycin PIX 3 0.34 0.22 0.51 0.0 Glyco:0/1 MIBiG Source C/C=C/C=C/CCC1CCCCN1 view Argimycin PIX
Argimycin PIII 4 0.34 0.22 0.51 0.0 Glyco:0/1 MIBiG Source C/C=C/C=C/C=C/C1=NCCCC1 view Argimycin PIII
shanorellin 5 0.34 0.22 0.51 0.0 Glyco:0/1 MIBiG Source CC1=C(O)C(C)=C(CO)C(=O)C1=O view shanorellin
Argimycin PVI 6 0.33 0.21 0.51 0.0 Glyco:0/1 MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCCC[C@H]12 view Argimycin PVI
Argimycin PV 8 0.33 0.21 0.5 0.0 Glyco:0/1 MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCCC[C@]12O view Argimycin PV
Argimycin PIV 9 0.32 0.2 0.5 0.0 Glyco:0/1 MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCC[C@@H](O)[C@]12O view Argimycin PIV
(+)-T-muurolol 10 0.32 0.2 0.49 0.0 Glyco:0/1 MIBiG Source CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1 view (+)-T-muurolol
d-cycloserine 11 0.32 0.22 0.48 0.0 Glyco:0/1 MIBiG Source N[C@@H]1CONC1=O view d-cycloserine
Phosphinothricintripeptide 12 0.32 0.27 0.43 0.0 Glyco:0/1 MIBiG Source CP(=O)([O-])CCC([NH3+])C(=O)[O-] view Phosphinothricintripeptide
isotrichotriol 13 0.31 0.18 0.48 0.0 Glyco:0/1 MIBiG Source CC1=CC(O)[C@@](C)([C@@]2(C)C[C@@H](O)[C@@H](O)C23CO3)CC1 view isotrichotriol
ectoine 14 0.31 0.26 0.43 0.0 Glyco:0/1 MIBiG Source CC1=NCC[C@@H](C(=O)O)N1 view ectoine
FR900098 15 0.3 0.24 0.42 0.0 Glyco:0/1 MIBiG Source CC(=O)N(O)CCCP(=O)(O)O view FR900098
desosamine 16 0.3 0.23 0.42 0.0 Glyco:0/1 MIBiG Source C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](O)O1 view desosamine
desosamine 17 0.3 0.23 0.42 0.0 Glyco:0/1 MIBiG Source CC1CC(N(C)C)C(O)C(O)O1 view desosamine
asperlactone 18 0.3 0.26 0.41 0.0 Glyco:0/1 MIBiG Source C[C@@H]1O[C@H]1C1=C[C@H]([C@H](C)O)OC1=O view asperlactone
2-methylisoborneol 19 0.3 0.25 0.41 0.0 Glyco:0/1 MIBiG Source CC1(O)CC2CCC1(C)C2(C)C view 2-methylisoborneol
Anatoxin-a 20 0.3 0.24 0.41 0.0 Glyco:0/1 MIBiG Source CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 view Anatoxin-a
2-Hydroxymethylclavam 21 0.29 0.2 0.43 0.0 Glyco:0/1 MIBiG Source O=C1C[C@@H]2O[C@@H](CO)CN12 view 2-Hydroxymethylclavam
2-deoxystreptamine 22 0.29 0.2 0.42 0.0 Glyco:0/1 MIBiG Source NC1CC(N)C(O)C(O)C1O view 2-deoxystreptamine
3-methylarginine 23 0.29 0.22 0.41 0.0 Glyco:0/1 MIBiG Source CC(CC[NH+]=C(N)N)C([NH3+])C(=O)[O-] view 3-methylarginine
Homoanatoxin-a 24 0.29 0.22 0.41 0.0 Glyco:0/1 MIBiG Source CCC(=O)C1=CCC[C@@H]2CC[C@H]1N2 view Homoanatoxin-a
Clavam-2-carboxylate 25 0.28 0.19 0.42 0.0 Glyco:0/1 MIBiG Source O=C(O)[C@H]1CN2C(=O)C[C@@H]2O1 view Clavam-2-carboxylate
citrulline 26 0.28 0.19 0.42 0.0 Glyco:0/1 MIBiG Source NC(=O)NCCC[C@H](N)C(=O)O view citrulline
2-hydroxyethylclavam 27 0.28 0.18 0.42 0.0 Glyco:0/1 MIBiG Source O=C1C[C@@H]2O[C@@H](CCO)CN12 view 2-hydroxyethylclavam
fusaric acid 28 0.28 0.2 0.41 0.0 Glyco:0/1 MIBiG Source CCCCc1ccc(C(=O)O)nc1 view fusaric acid
geosmin 29 0.28 0.19 0.41 0.0 Glyco:0/1 MIBiG Source C[C@H]1CCC[C@@]2(C)CCCC[C@]12O view geosmin
(-)-Mellein 30 0.28 0.19 0.41 0.0 Glyco:0/1 MIBiG Source C[C@@H]1Cc2cccc(O)c2C(=O)O1 view (-)-Mellein
coronafacic acid 31 0.28 0.21 0.4 0.0 Glyco:0/1 MIBiG Source CC[C@H]1C=C(C(=O)O)[C@H]2CCC(=O)[C@H]2C1 view coronafacic acid
2,4-Diacetylphloroglucinol 32 0.28 0.2 0.4 0.0 Glyco:0/1 MIBiG Source CC(=O)c1c(O)cc(O)c(C(C)=O)c1O view 2,4-Diacetylphloroglucinol
2-amino-4-methoxy-trans-3-butenoic acid 33 0.28 0.3 0.34 0.0 Glyco:0/1 MIBiG Source CO/C=C/[C@H](N)C(=O)O view 2-amino-4-methoxy-trans-3-butenoic acid
clavulanic acid 34 0.27 0.19 0.4 0.0 Glyco:0/1 MIBiG Source O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 view clavulanic acid
itaconic acid 35 0.27 0.27 0.34 0.0 Glyco:0/1 MIBiG Source C=C(CC(=O)O)C(=O)O view itaconic acid
methylenomycin 36 0.26 0.28 0.31 0.0 Glyco:0/1 MIBiG Source C=C1C(=O)C2(C)OC2(C)C1C(=O)O view methylenomycin
thiolactomycin 37 0.26 0.29 0.3 0.0 Glyco:0/1 MIBiG Source C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1O view thiolactomycin
beta-trans-bergamotene 38 0.24 0.25 0.3 0.0 Glyco:0/1 MIBiG Source C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C view beta-trans-bergamotene
depudecin 39 0.24 0.25 0.3 0.0 Glyco:0/1 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
(+)-eremophilene 40 0.24 0.24 0.3 0.0 Glyco:0/1 MIBiG Source C=C(C)C1CCC2=CCCC(C)C2(C)C1 view (+)-eremophilene
cetoniacytone A 41 0.23 0.22 0.3 0.0 Glyco:0/1 MIBiG Source CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O view cetoniacytone A
sodorifen 42 0.23 0.22 0.3 0.0 Glyco:0/1 MIBiG Source C=C1[C@H](C)[C@@]2(C)C(C)=C(C)[C@](C)(C2C)[C@@H]1C view sodorifen
Tu 3010 43 0.23 0.23 0.29 0.0 Glyco:0/1 MIBiG Source C=C/C(C)=C/[C@@]1(CC(N)=O)SC(=O)C(CC)=C1O view Tu 3010
U-68204 44 0.23 0.23 0.29 0.0 Glyco:0/1 MIBiG Source C=C/C(C)=C/[C@@]1(CC)SC(=O)C(CC(N)=O)=C1O view U-68204
1-heptadecene 45 0.22 0.2 0.3 0.0 Glyco:0/1 MIBiG Source C=CCCCCCCCCCCCCCCC view 1-heptadecene
ent-pimara-8(14),15-diene 46 0.21 0.18 0.29 0.0 Glyco:0/1 MIBiG Source C=C[C@]1(C)C=C2CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 view ent-pimara-8(14),15-diene
1-nonadecene 47 0.21 0.18 0.29 0.0 Glyco:0/1 MIBiG Source C=CCCCCCCCCCCCCCCCCC view 1-nonadecene
haliamide 48 0.21 0.18 0.29 0.0 Glyco:0/1 MIBiG Source C=CC(C)C/C(C)=C/C=C/C(C)NC(=O)c1ccccc1 view haliamide
viguiepinol 49 0.21 0.18 0.28 0.0 Glyco:0/1 MIBiG Source C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]23C)C1 view viguiepinol

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