SeMPI 2.0

Cluster scaffolds:

OH * * O * * * O * * * O * O * O OH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
ambruticin 0 0.62 0.47 0.64 1.0 Non detected. MIBiG Source CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C view ambruticin O O O HO OH OH
Lactimidomycin 1 0.61 0.46 0.62 1.0 Non detected. MIBiG Source C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C=C/[C@@H]1C view Lactimidomycin O OH O NH O O O
Borrelidin 2 0.6 0.45 0.62 1.0 Non detected. MIBiG Source C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 view Borrelidin OH O O O HO N OH
8,9-dihydro-LTM 3 0.6 0.46 0.61 1.0 Non detected. MIBiG Source C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\CC[C@@H]1C view 8,9-dihydro-LTM O OH O NH O O O
chlorotonil 4 0.6 0.46 0.61 1.0 Non detected. MIBiG Source CC1=C[C@@H](C)[C@@H]2[C@H](C=C[C@@H]3[C@H]2C(=O)C(Cl)(Cl)C(=O)[C@H](C)C(=O)O[C@@H](C)/C=C\C=C/[C@H]3C)C1 view chlorotonil O Cl Cl O O O H H H H
lankacidin 5 0.6 0.48 0.59 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
Dorrigocin B 6 0.6 0.47 0.59 1.0 Non detected. MIBiG Source CO[C@@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 view Dorrigocin B O O HO OH OH O O NH O
8,9-dihydro-8S-hydroxy-LTM 7 0.59 0.45 0.6 1.0 Non detected. MIBiG Source C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\[C@@H](O)C[C@@H]1C view 8,9-dihydro-8S-hydroxy-LTM O OH O NH O O O OH
8,9-dihydro-9R-hydroxy-LTM 8 0.59 0.45 0.6 1.0 Non detected. MIBiG Source C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C[C@@H](O)[C@@H]1C view 8,9-dihydro-9R-hydroxy-LTM O OH O NH O O O HO
chaxamycin A 9 0.59 0.45 0.59 1.0 Non detected. MIBiG Source CC1=C2NC(=O)/C=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(/C)C(=O)c3c(O)c(C)c(O)c(c3C1=O)C2=O view chaxamycin A NH O OH OH OH OH O OH HO O O H H H H H H H H H
chaxamycin C 10 0.58 0.45 0.58 1.0 Non detected. MIBiG Source CC1=C2NC(=O)/C=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](CO)/C=C(/C)C(=O)c3c(O)c(C)c(O)c(c3C1=O)C2=O view chaxamycin C NH O OH OH OH OH OH O OH HO O O H H H H H H H H H
tirandamycin 11 0.58 0.45 0.57 1.0 Non detected. MIBiG Source CC(/C=C/C(=O)C1=C(O)NCC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C view tirandamycin O OH NH O O O O O H H
chaxamycin B 12 0.58 0.45 0.57 1.0 Non detected. MIBiG Source CC1=C2NC(=O)/C=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(/C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O view chaxamycin B NH O HO HO HO OH O OH O O H H H H H H H H H
nemadectin 13 0.58 0.45 0.57 1.0 Non detected. MIBiG Source CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)OC1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 view nemadectin O O O HO HO O OH O H H H H
Marneral 14 0.58 0.46 0.56 1.0 Non detected. MIBiG Source CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCC=O)C(=C(C)C)CC[C@H]1C view Marneral O
myxalamid 15 0.58 0.49 0.54 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
helvolic acid 16 0.58 0.51 0.53 1.0 Non detected. MIBiG Source CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](OC(C)=O)[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O view helvolic acid O O O O O O O HO H H H
migrastatin 17 0.57 0.45 0.56 1.0 Non detected. MIBiG Source CO[C@H]1/C=C\CC/C=C\C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O view migrastatin O O O O O NH O HO
Macbecin I 18 0.57 0.48 0.54 1.0 Non detected. MIBiG Source CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@H](C)[C@H]1OC)C2=O view Macbecin I O O O NH O O H2N O O O
Dorrigocin A 19 0.57 0.46 0.54 1.0 Non detected. MIBiG Source CO[C@@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 view Dorrigocin A O O HO OH OH O O NH O
13-epi-Dorrigocin A 20 0.57 0.46 0.54 1.0 Non detected. MIBiG Source CO[C@@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 view 13-epi-Dorrigocin A O O HO OH OH O O NH O
equisetin 21 0.57 0.47 0.53 1.0 Non detected. MIBiG Source C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1/C(=O)[C@H](CO)N(C)C1=O view equisetin OH O OH N O H H
FD-891 22 0.57 0.47 0.53 1.0 Non detected. MIBiG Source CO[C@@H](C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)CCC(C)[C@@H]1C/C=C\C=C/CC(O)C2O[C@H]2[C@@H](O)[C@H](C)/C=C(C)\C=C(\C)C(=O)O1 view FD-891 O OH OH HO O HO O O H
Kendomycin 23 0.56 0.46 0.53 1.0 Non detected. MIBiG Source CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C view Kendomycin O OH OH O O OH H H
iso-migrastatin 24 0.56 0.46 0.52 1.0 Non detected. MIBiG Source CO[C@H]1/C=C\CC/C=C\C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O view iso-migrastatin O O O O O NH O OH
Streptolydigin 25 0.56 0.47 0.51 1.0 Non detected. MIBiG Source CNC(=O)[C@@H](C)[C@H]1C(=O)C(C(=O)/C=C/C(C)=C/[C@@H](C)[C@@H]2O[C@]3(C)O[C@@H](C=C[C@]34CO4)[C@@H]2C)=C(O)N1[C@@H]1CC[C@H](O)[C@H](C)O1 view Streptolydigin NH O O O O O O OH N OH O H
Thailanstatin A 26 0.55 0.44 0.52 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@H](CC(=O)O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C view Thailanstatin A O O O NH O O OH O OH O
ebelactone 27 0.55 0.46 0.51 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C view ebelactone OH O O O
pladienolide 28 0.55 0.45 0.51 1.0 Non detected. MIBiG Source CC[C@H](O)[C@@H](C)[C@H]1O[C@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C view pladienolide OH O O O OH OH O O
clavaric acid 29 0.55 0.45 0.51 1.0 Non detected. MIBiG Source C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 view clavaric acid HO OH O O HO O OH O H
geldanamycin 30 0.55 0.47 0.5 1.0 Non detected. MIBiG Source COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(\C)C(=O)NC(=CC1=O)C2=O view geldanamycin O O OH O H2N O O O NH O O
yanuthone D 31 0.55 0.48 0.49 1.0 Non detected. MIBiG Source CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1C(=O)C(COC(=O)CC(C)(O)CC(=O)O)=CC2=O view yanuthone D O O O O HO O OH O H
Bafilomycin B1 32 0.55 0.47 0.49 1.0 Non detected. MIBiG Source CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O view Bafilomycin B1 O HO O OH HO OH O O O
JBIR-100 33 0.55 0.51 0.47 1.0 Non detected. MIBiG Source C/C1=C/C(C)C(O)C(C)C/C(C)=C\C=C/CC(C(C)C(O)C(C)C2(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O2)OC(=O)\C(C)=C/1 view JBIR-100 HO OH HO O O O OH O O O
maklamicin 34 0.54 0.45 0.5 1.0 Non detected. MIBiG Source C[C@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](C)/C=C\C[C@]4(C)C=C(CO)[C@H](C[C@@H](C)O)C[C@]45OC(=O)/C(=C(\O)[C@@]23C)C5=O)C1 view maklamicin OH OH O O OH O H H H
Kalimantacin A 35 0.54 0.48 0.46 1.0 Non detected. MIBiG Source C=C(CCC=CC=CCC(C)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O)CC(C)CC(C)=CC(=O)O view Kalimantacin A O OH NH O O NH2 O O OH
Dawenol 36 0.54 0.54 0.43 1.0 Non detected. MIBiG Source C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C(C)=C\C(C)C(O)C(C)C(C)OC(C)=O view Dawenol OH O O
astaxanthin 37 0.53 0.45 0.47 1.0 Non detected. MIBiG Source CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O view astaxanthin O HO OH O
corallopyronin 38 0.53 0.47 0.46 1.0 Non detected. MIBiG Source C/C=C/C/C=C(\C)C(O)CC/C(C)=C/C=C(C)/C(O)=C1/C(=O)C=C([C@H](C)CC/C=C/NC(=O)OC)OC1=O view corallopyronin OH OH O NH O O O O
chaetoviridin 39 0.53 0.47 0.46 1.0 Non detected. MIBiG Source CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 view chaetoviridin Cl O O O O OH O
herbimycin 40 0.53 0.46 0.46 1.0 Non detected. MIBiG Source CO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O view herbimycin O O NH O O O O O O H2N O
Pellasoren 41 0.53 0.49 0.44 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
fusarin 42 0.52 0.49 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
alpha-lipomycin 43 0.52 0.52 0.41 1.0 Non detected. MIBiG Source CC(/C=C/C=C/C=C/C=C/C(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=C\C(C)C(O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C(C)C view alpha-lipomycin O OH O OH N O O OH OH O
mycolactone 44 0.51 0.45 0.43 1.0 Non detected. MIBiG Source C/C1=C/C[C@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)OC(=O)CCC[C@H](OC(=O)/C=C/C(C)=C/C(C)=C/C=C/C(C)=C/[C@H](O)[C@@H](O)C[C@H](C)O)[C@@H](C)C1 view mycolactone OH OH O O O O OH OH OH
bacillaene 45 0.51 0.46 0.42 1.0 Non detected. MIBiG Source C/C(=C/C=C/C=C/C(C)C(=O)O)NC(=O)CC(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\CCCNC(=O)C(O)CC(C)C view bacillaene O OH NH O OH NH O OH
tautomycetin 46 0.5 0.47 0.4 1.0 Non detected. MIBiG Source C=C/C(=C/C(=O)CC(C)CC(C)CCC(O)C(C)C(=O)CC(O)C(C)C(C)OC(=O)CC(O)C1=C(C)C(=O)OC1=O)CC view tautomycetin O OH O HO O O OH O O O
tautomycetin 47 0.5 0.47 0.4 1.0 Non detected. MIBiG Source C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)CC view tautomycetin O OH O HO O O OH O O O
epoxomicin 48 0.41 0.49 0.2 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
Rhabdopeptide 2 49 0.4 0.46 0.2 1.0 Non detected. MIBiG Source CN[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)N(C)[C@@H](C(=O)NCCc1ccccc1)C(C)C)C(C)C)C(C)C view Rhabdopeptide 2 NH O N O N O N O NH

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