SeMPI 2.0

Cluster scaffolds:

O NH SH * * O NH O NH OH O NH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
Xenotetrapeptide 0 0.7 0.63 0.68 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC1=O view Xenotetrapeptide NH O NH O NH O NH O
FK228 1 0.66 0.52 0.68 1.0 Non detected. MIBiG Source CC=C1NC(=O)C2CSSCC/C=C\C(CC(=O)NC(C(C)C)C(=O)N2)OC(=O)C(C(C)C)NC1=O view FK228 NH O S S O NH O NH O O NH O
Burkholdac A 2 0.66 0.51 0.68 1.0 Non detected. MIBiG Source CSCCC1NC(=O)CC2/C=C\CCSSCC(NC1=O)C(=O)NC(C(C)C)C(O)CC(=O)O2 view Burkholdac A S NH O S S NH O O NH HO O O
Spiruchostatin A 3 0.66 0.51 0.68 1.0 Non detected. MIBiG Source CC(C)[C@H]1NC(=O)[C@H]2CSSCC/C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O view Spiruchostatin A NH O S S O NH O NH O O OH H H H
HC-toxin 4 0.64 0.48 0.68 1.0 Non detected. MIBiG Source C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@@H](C)NC1=O view HC-toxin NH O N O O O NH O NH O H
Luminmycin 5 0.64 0.52 0.64 1.0 Non detected. MIBiG Source CCCCCCC/C=C/C=C/C(=O)N[C@H](C(=O)N[C@H]1CCCCNC(=O)/C=C\[C@H](C)NC1=O)C(C)O view Luminmycin O NH O NH NH O NH O HO
glidobactin 6 0.64 0.53 0.63 1.0 Non detected. MIBiG Source CCCCCCC/C=C/C=C/C(=O)N[C@H](C(=O)N[C@H]1C[C@@H](O)CCNC(=O)/C=C\[C@H](C)NC1=O)[C@@H](C)O view glidobactin O NH O NH OH NH O NH O HO
Cyclotine 7 0.63 0.54 0.6 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Cyclotine NH O N O OH NH O NH O OH NH O H
Cyclochlorotine B 8 0.63 0.54 0.6 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)CCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Cyclochlorotine B NH O Cl N O OH NH O NH O OH NH O H
Myxochromide S1 9 0.62 0.46 0.65 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)C1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)CC1C view Myxochromide S1 O N O NH O NH O NH O NH NH2 O O
fellutamide B 10 0.62 0.51 0.61 1.0 Non detected. MIBiG Source CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C=O)CC(C)C view fellutamide B OH O NH NH2 O O NH NH2 O O NH O
epoxomicin 11 0.62 0.53 0.6 1.0 Non detected. MIBiG Source CCC(C)C(NC(=O)C(C(C)CC)N(C)C(C)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)C1(C)CO1)C(C)O view epoxomicin NH O N O O NH O NH O O HO
Deoxy-Cyclochlorotine 12 0.62 0.52 0.6 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](C)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Deoxy-Cyclochlorotine NH O Cl Cl N O NH O NH O OH NH O H
cyclochlorotine 13 0.62 0.54 0.59 1.0 Non detected. MIBiG Source CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view cyclochlorotine NH O Cl Cl N O OH NH O NH O OH NH O H
eponemycin 14 0.62 0.57 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 NH O OH NH O O OH O
Hydroxy-cyclochlorotine 15 0.61 0.53 0.58 1.0 Non detected. MIBiG Source CC(C)[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O view Hydroxy-cyclochlorotine NH O Cl Cl N O OH NH O NH O OH NH O H
cahuitamycin B 16 0.6 0.48 0.6 1.0 Non detected. MIBiG Source O=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccccc1O)C(=O)N1NCCC[C@@H]1C(=O)NCCC(=O)O view cahuitamycin B O N OH NH O OH NH O OH NH O OH O N NH O NH O OH
malleobactin B 17 0.6 0.53 0.55 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCCNO)NC=O)[C@@H](O)C(=O)O view malleobactin B H2N NH O N OH O NH O OH NH O NH O NH HO NH O HO O OH
malleobactin C 18 0.6 0.52 0.55 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCCN=O)NC=O)[C@@H](O)C(=O)O view malleobactin C H2N NH O N OH O NH O OH NH O NH O N O NH O HO O OH
Malleobactin A 19 0.6 0.52 0.55 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC[N+](=O)[O-])NC=O)[C@@H](O)C(=O)O view Malleobactin A H2N NH O N OH O NH O OH NH O NH O N+ O O- NH O HO O OH
Ambactin 20 0.59 0.46 0.59 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC1=O view Ambactin NH O NH O NH2 O NH O OH NH O NH2 NH O NH O
ustiloxin B 21 0.59 0.45 0.59 1.0 Non detected. MIBiG Source CC[C@@]1(C)Oc2cc(c([S@](=O)C[C@@H](O)C[C@H](N)C(=O)O)cc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O view ustiloxin B O S O OH NH2 O OH OH OH NH O NH O NH O NH O HO
serinocyclin A 22 0.59 0.48 0.57 1.0 Non detected. MIBiG Source NCC[C@H](O)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C2(CC2)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)CCNC1=O view serinocyclin A NH2 OH NH O OH NH O OH N O NH O OH NH O OH NH O NH O H
actinonin 23 0.58 0.44 0.58 1.0 Non detected. MIBiG Source CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C view actinonin O NH OH O NH O N HO
emericellamide A 24 0.58 0.51 0.52 1.0 Non detected. MIBiG Source CCCCCC[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C view emericellamide A O O NH O NH O NH O NH O NH O
cystargolide B 25 0.57 0.45 0.56 1.0 Non detected. MIBiG Source CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O view cystargolide B NH O NH O O O O OH
Myxochromide D 26 0.57 0.46 0.55 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide D O N O NH O NH O NH O NH NH2 O O O
cystargolide A 27 0.57 0.46 0.54 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O view cystargolide A NH O NH O O O O OH
Myxochromide D 28 0.57 0.46 0.54 1.0 Non detected. MIBiG Source CC/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide D O N O NH O NH O NH O NH NH2 O O O
(R)-N1-((S)-5-oxohexan-2-yl)-2-tetradecanamidosuccinamide 29 0.57 0.48 0.53 1.0 Non detected. MIBiG Source CCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)CCC(C)=O view (R)-N1-((S)-5-oxohexan-2-yl)-2-tetradecanamidosuccinamide O NH NH2 O O NH O
syringolin A 30 0.57 0.54 0.48 1.0 Non detected. MIBiG Source CC(C)C1/C=C\C(=O)NCC/C=C\C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C(C)C)C(=O)N1 view syringolin A O NH NH O NH O NH O OH O NH
patellin 2 31 0.56 0.44 0.54 1.0 Non detected. MIBiG Source C=CC(C)(C)OC(C)[C@@H]1NC(=O)[C@H]2CSC(=N2)[C@H](CC(C)C)NC(=O)[C@H](C(C)OC(C)(C)C=C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O view patellin 2 O NH O S N NH O O NH O N O NH O H H
phomopsin B 32 0.56 0.44 0.54 1.0 Non detected. MIBiG Source C=C(C)[C@@H]1NC(=O)[C@@H](NC)[C@@H](O)c2ccc(O)c(c2)O[C@](C)(CC)[C@@H](C(=O)N2CC=C[C@H]2C(=O)N/C(C(=O)N/C(=C/C(=O)O)C(=O)O)=C(\C)CC)NC1=O view phomopsin B NH O NH OH OH O O N O NH O NH O HO O OH NH O
Myxochromide S 33 0.56 0.46 0.52 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide S O N O NH O NH O NH O NH NH2 O O O
emericellamide B 34 0.56 0.49 0.51 1.0 Non detected. MIBiG Source CCCCCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C view emericellamide B O O NH O NH O NH O NH O NH O
viomycin 35 0.55 0.45 0.51 1.0 Non detected. MIBiG Source NCCC[C@@H](N)CC(=O)N[C@@H]1CNC(=O)[C@@H](C2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC1=O.O=S(=O)(O)O view viomycin H2N NH2 O NH NH O OH N H2N NH NH O NH NH2 O NH O OH NH O HO NH O O S O OH OH
Rakicidin D 36 0.54 0.47 0.47 1.0 Non detected. MIBiG Source C=C1/C=C\C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)OC([C@H](C)CCCCCC)[C@H](C)C(=O)N1 view Rakicidin D O N O NH HO NH2 O O O O NH
fusarin 37 0.53 0.5 0.43 1.0 Non detected. MIBiG Source C/C=C(C)\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O view fusarin O O HO OH NH O H
Myxoprincomide-c506 38 0.52 0.44 0.46 1.0 Non detected. MIBiG Source CNC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN)CC(=O)NC(C)C(=O)O)C(C)C)C(C)(C)O view Myxoprincomide-c506 NH OH O NH O NH O NH HO O NH O O NH OH O NH OH O NH NH2 O NH O OH HO
myxalamid 39 0.51 0.51 0.38 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 O NH OH OH
nosperin 40 0.5 0.44 0.43 1.0 Non detected. MIBiG Source C=C1C[C@](OC)([C@H](O)C(=O)N/C=C/C(CO)[C@@H](O)C(C)C(=O)N2CCC[C@H]2[C@H](O)CC(N)=O)O[C@H](C)[C@@H]1C view nosperin O OH O NH HO OH O N OH H2N O O
andrimid 41 0.5 0.45 0.42 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C)C(C)C)c1ccccc1 view andrimid O NH O NH O O NH O
9-methylstreptimidone 42 0.49 0.45 0.39 1.0 Non detected. MIBiG Source C/C=C\C(C)=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 view 9-methylstreptimidone O OH O NH O
Pellasoren 43 0.49 0.48 0.37 1.0 Non detected. MIBiG Source CC/C=C(\OC)C(=O)N[C@@H](C)/C=C(C)/C=C(C)/C=C/C[C@H](C)[C@H]1OC(=O)[C@H](C)C[C@@H]1C view Pellasoren O O NH O O
FR901464 44 0.48 0.45 0.38 1.0 Non detected. MIBiG Source CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C view FR901464 O O O NH O OH O OH O
phenalamide 45 0.47 0.46 0.34 1.0 Non detected. MIBiG Source CC(/C=C/C=C/C=C/C=C(\C)C(=O)NC(C)CO)=C\C(C)C(O)/C(C)=C/C(C)CCc1ccccc1 view phenalamide O NH HO OH
lankacidin 46 0.47 0.5 0.31 1.0 Non detected. MIBiG Source CC(=O)C(=O)N[C@@H]1/C=C(C)\C=C/[C@@H](O)C/C=C(C)\C=C/[C@@H](O)C[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C view lankacidin O O NH OH OH O O O H H H H H
galbonolide A 47 0.41 0.46 0.22 1.0 Non detected. MIBiG Source C=C1/C=C(/C)[C@H](CC)OC(=O)[C@H](C)C(=O)C(O)(CO)C/C(OC)=C\[C@@H](C)C1 view galbonolide A O O O OH OH O
Aurafuron A 48 0.4 0.45 0.22 1.0 Non detected. MIBiG Source CC1=C(CC(O)/C=C\C=C\C(C)C(O)/C(C)=C/CC(C)C)OC(C)(O)C1=O view Aurafuron A OH HO O OH O
E-837 49 0.38 0.44 0.17 1.0 Non detected. MIBiG Source C/C=C(\C)C(O)C(C)/C=C/C=C(\C)CCC(O)CC1=C(C)C(=O)C(C)(O)O1 view E-837 OH OH O OH O

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