SeMPI 2.0

Cluster scaffolds:

O OH O

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
brefeldin A 32 0.63 0.49 0.64 1.0 Non detected. MIBiG Source C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C\C(=O)O1 view brefeldin A HO HO O O H H
cornexistin 45 0.57 0.48 0.54 1.0 Non detected. MIBiG Source C/C=C1/CC2=C(C(=O)OC2=O)[C@@H](CCC)[C@H](O)C(=O)C[C@@H]1O view cornexistin O O O HO O OH
ebelactone 4 0.72 0.57 0.76 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
phytocassane 0 0.73 0.59 0.76 1.0 Non detected. MIBiG Source C=CC1=CC(=O)[C@H]2[C@@H](CC[C@H]3C(C)(C)C(=O)[C@@H](O)C[C@]23C)[C@H]1C view phytocassane O O OH H H H
oryzalides 25 0.66 0.48 0.7 1.0 Non detected. MIBiG Source CC1(C)C(=O)O[C@@H](O)[C@]2(C)C1CC[C@@]13CC(CCC21)[C@]1(C)OC13 view oryzalides O O OH O
Aurafuron A 26 0.66 0.52 0.68 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-492 27 0.66 0.54 0.67 1.0 Non detected. MIBiG Source C/C=C(\C)C(O)C(C)/C=C/C=C/CCC(O)CC1=C(C)C(=O)C(O)(C(C)O)O1 view E-492 OH OH O OH HO O
E-975 28 0.65 0.54 0.65 1.0 Non detected. MIBiG Source CC/C=C(\C)C(O)C(C)/C=C/C=C/CCC(O)CC1=C(C)C(=O)C(O)(C(C)O)O1 view E-975 OH OH O OH HO O
ent-pimara-8(14),15-diene 1 0.72 0.5 0.81 1.0 Non detected. 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 H H
momilactone 2 0.72 0.52 0.79 1.0 Non detected. MIBiG Source C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@@]4(C)C(=O)CC[C@@]2(C)[C@@H]34)C1 view momilactone O O O H H H
viguiepinol 3 0.72 0.55 0.77 1.0 Non detected. 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 OH H H
Abyssomicin C 5 0.71 0.55 0.76 1.0 Non detected. MIBiG Source C[C@@H]1C/C=C\[C@@H]2[C@@H](O)[C@@H]3OC4=C(C(=O)O[C@]42C[C@H]3C)C(=O)[C@H](C)C1 view Abyssomicin C OH O O O O H H H H
lovastatin 6 0.71 0.55 0.76 1.0 Non detected. MIBiG Source CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 view lovastatin O O OH O O H
8,9-dihydro-9R-hydroxy-LTM 29 0.64 0.5 0.66 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
xenolozoyenone 30 0.64 0.53 0.64 1.0 Non detected. MIBiG Source CCCCCC/C=C/C=C/C=C/C(O)=C1\C(=O)CN(O)C1=O view xenolozoyenone OH O N HO O
chaetoviridin 31 0.63 0.5 0.64 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
cyclooctatin 7 0.7 0.5 0.78 1.0 Non detected. MIBiG Source CC(C)C1CCC2(C)CC3C(CO)CC(O)C3C(C)(O)C/C=C/12 view cyclooctatin HO OH HO
betaenone A 8 0.7 0.49 0.78 1.0 Non detected. MIBiG Source CCC(C)C1C2(C)C(=O)/C(=C\O)C(O)(C3CC(C)(O)CC(C)C32)C1(C)O view betaenone A O HO OH OH HO
4´-oxomacrophorin A 9 0.7 0.52 0.77 1.0 Non detected. MIBiG Source C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C(=O)C(CO)=CC2=O view 4´-oxomacrophorin A O O OH O H H
betaenone B 10 0.7 0.53 0.76 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO view betaenone B OH O OH O OH H H
monacolin K 11 0.7 0.53 0.76 1.0 Non detected. MIBiG Source CC(O)CC(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21 view monacolin K OH O O HO O O
macrophorin A 12 0.69 0.51 0.75 1.0 Non detected. MIBiG Source C=C1CCC2C(C)(C)CCCC2(C)C1CC12OC1C(O)C(CO)=CC2=O view macrophorin A O OH OH O
betaenone C 13 0.69 0.53 0.74 1.0 Non detected. MIBiG Source CCC(C)C1C(C)(O)C(=O)C2CC(C)(O)CC(C)C2C1(C)C(=O)/C=C\O view betaenone C OH O OH O HO
compactin 14 0.69 0.54 0.73 1.0 Non detected. MIBiG Source CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 view compactin O O OH O O H
lycosantalonol 15 0.69 0.54 0.73 1.0 Non detected. MIBiG Source CC(C)=CCCC(C)(O)C(=O)CC[C@]1(C)C2CC3C(C2)C31C view lycosantalonol HO O
E-837 16 0.69 0.54 0.72 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
fusaridione A 17 0.69 0.54 0.72 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)N(C)[C@@H](CO)C1=O view fusaridione A O OH N OH O H H
equisetin 18 0.68 0.55 0.7 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
albaflavenone 19 0.67 0.48 0.73 1.0 Non detected. MIBiG Source CC1=C2C(=O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C view albaflavenone O H
fengycin 20 0.67 0.48 0.73 1.0 Non detected. MIBiG Source C[C@]12CCC(=O)C[C@H]1CCC1C2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O view fengycin O O O OH H
galbonolide A 21 0.67 0.51 0.7 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
ucs1025a 22 0.67 0.51 0.7 1.0 Non detected. MIBiG Source C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N2CC[C@H]3C(=O)O[C@@H]1[C@]32O view ucs1025a O O N O O OH H H H H
herboxidiene 23 0.66 0.48 0.72 1.0 Non detected. MIBiG Source CO[C@@H]([C@@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)/C=C/C=C(\C)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C view herboxidiene O HO O O O OH
(+)-T-muurolol 24 0.66 0.48 0.7 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 OH H H
Cinnabaramide 33 0.63 0.51 0.62 1.0 Non detected. MIBiG Source CCCCCC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C view Cinnabaramide O NH OH O O
Malleilactone 34 0.62 0.48 0.64 1.0 Non detected. MIBiG Source CCCCCCC/C=C(C)/C(O)=C1\C=C(C(=O)CC)OC1=O view Malleilactone OH O O O
9-methylstreptimidone 35 0.62 0.56 0.57 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
cycloheximide 36 0.6 0.49 0.59 1.0 Non detected. MIBiG Source C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 view cycloheximide O OH O NH O
SCB3 37 0.6 0.49 0.59 1.0 Non detected. MIBiG Source CCC(C)CCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO view SCB3 OH O O HO
monascin 38 0.6 0.5 0.58 1.0 Non detected. MIBiG Source C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 view monascin O O O O O H
iso-migrastatin 39 0.59 0.48 0.57 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
8,9-dihydro-LTM 40 0.59 0.52 0.54 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
Dorrigocin B 41 0.58 0.48 0.56 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
coronatine 42 0.58 0.49 0.55 1.0 Non detected. MIBiG Source CC[C@H]1C[C@@]1(NC(=O)C1=C[C@H](CC)C[C@@H]2C(=O)CC[C@H]12)C(=O)O view coronatine NH O O O OH H H
8,9-dihydro-8S-hydroxy-LTM 43 0.58 0.5 0.54 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
Lactimidomycin 44 0.58 0.52 0.52 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
Kalimantacin A 46 0.57 0.48 0.53 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
Rakicidin D 47 0.51 0.49 0.41 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
actinonin 48 0.46 0.48 0.32 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
eponemycin 49 0.46 0.48 0.31 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

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