SeMPI 2.0

Cluster scaffolds:

O N O

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
oligomycin 9 0.64 0.49 0.66 1.0 Non detected. MIBiG Source CC[C@@H]1/C=C\C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C view oligomycin HO HO O HO O OH O O O OH O H H H
macrobrevin 0 0.68 0.6 0.66 1.0 Non detected. MIBiG Source CCC(C)C(O)/C=C/C(C)=C/C=C/C(C)CC(C)C1CC(O)C(C)/C=C\C=C/C(C)C/C=C(/C)C(O)/C=C\CC(O)C(C)/C=C\C(=O)O1 view macrobrevin OH OH HO OH O O
zeaxanthin 1 0.67 0.52 0.7 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[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 view zeaxanthin HO OH
astaxanthin 2 0.67 0.53 0.69 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
halstoctacosanolide 3 0.66 0.52 0.68 1.0 Non detected. MIBiG Source CCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)CC(C)C1CC(O)C(C)/C=C\C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(\C)C(O)C(=O)/C=C(/C)C(=O)O1)O2 view halstoctacosanolide OH OH OH OH HO O OH OH O O O O
heronamide C 4 0.66 0.52 0.67 1.0 Non detected. MIBiG Source CCC/C=C\C=C/C[C@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 view heronamide C OH OH O NH
nemadectin 5 0.65 0.48 0.69 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
Etnangien 6 0.65 0.55 0.63 1.0 Non detected. MIBiG Source COC1C(C)C(O)CC(=O)OC(C(C)C(O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/CC(O)/C=C(\C)CCC(=O)O)CC(O)CCCC(O)C/C=C\C=C/CC(C)C(O)C1C view Etnangien O OH O O OH OH O HO HO OH OH
BE-14106 7 0.64 0.48 0.67 1.0 Non detected. MIBiG Source CCC/C=C/CC1C/C=C\C=C(C)/C=C\C=C/C(O)C(O)/C=C(C)\C=C/C=C\C(=O)N1 view BE-14106 OH OH O NH
chlorotonil 8 0.64 0.47 0.67 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
maklamicin 10 0.64 0.48 0.66 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
heronamide A 11 0.64 0.51 0.64 1.0 Non detected. MIBiG Source CCC/C=C/C=C/C[C@@H]1C[C@H](O)C2[C@@H]3/C(C)=C\[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4/C(C)=C\C=C/[C@H]3C(=O)N21 view heronamide A OH OH OH O N H H H H
difficidin 12 0.64 0.54 0.62 1.0 Non detected. MIBiG Source C=C/C=C(\C)CCC1C/C=C\C=C(\C)C(OP(=O)(O)O)CCC/C=C\C=C/C=C\CC(C)C(=C)CC(=O)O1 view difficidin O P O OH HO O O
beta-carotein 13 0.63 0.54 0.6 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)CCCC2(C)C)C(C)(C)CCC1 view beta-carotein
concanamycin A 14 0.62 0.49 0.63 1.0 Non detected. MIBiG Source C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](O)[C@@H]1C view concanamycin A O OH OH O O O OH OH O OH
tetronasin 15 0.62 0.48 0.63 1.0 Non detected. MIBiG Source CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)/C(O)=C3/C(=O)COC3=O)CO)O2)O1 view tetronasin O OH O O O OH O O
heronamide B 16 0.62 0.52 0.61 1.0 Non detected. MIBiG Source CCC/C=C/C=C/C[C@@H]1C[C@@H]2/C=C\C(C)=C/[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3/C(C)=C\C=C/[C@H]2C(=O)N1 view heronamide B HO OH O NH H H H H
heronamide D 17 0.62 0.51 0.61 1.0 Non detected. MIBiG Source C/C=C/C=C/CC1C[C@H](O)C2C3/C(C)=C\C4C=C[C@@H](O)[C@@H](O)C4/C(C)=C\C=C/C3C(=O)N12 view heronamide D OH OH OH O N
Spirangien A1 18 0.62 0.52 0.6 1.0 Non detected. MIBiG Source C/C=C(\C)C[C@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)[C@@H](C)C[C@@H]2O view Spirangien A1 OH O O O OH O HO O OH
heronamide E 19 0.62 0.52 0.59 1.0 Non detected. MIBiG Source C/C=C/C=C/C[C@@H]1C[C@@H]2/C=C\C(C)=C/[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3/C(C)=C\C=C/[C@H]2C(=O)N1 view heronamide E HO OH O NH H H H H
tetronomycin 20 0.61 0.48 0.61 1.0 Non detected. MIBiG Source C=C1OC(=O)C(C(=O)[C@H](C)[C@@H]2[C@@H](C)CCC[C@H]2/C=C(\CO)[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@@H]([C@@H](C)OC)O3)CC[C@@H]2C)=C1[O-].[Na+] view tetronomycin O O O HO O O O O- Na+
FK506 21 0.6 0.46 0.6 1.0 Non detected. MIBiG Source C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC view FK506 O O OH O O N O O OH O OH O O H H
FK520 22 0.6 0.46 0.6 1.0 Non detected. MIBiG Source CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC view FK520 O O OH O O N O O OH O OH O O H H
rapamycin 23 0.6 0.49 0.59 1.0 Non detected. MIBiG Source CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C\1C view rapamycin O OH O O O N O O OH O O OH O O H H
JBIR-100 24 0.6 0.48 0.59 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
Bafilomycin B1 25 0.59 0.46 0.59 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
filipin 26 0.59 0.46 0.58 1.0 Non detected. MIBiG Source CCCCC[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C\C=C/C=C\C=C/C=C(/C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O view filipin OH O O HO OH OH OH OH OH OH HO
FD-891 27 0.58 0.46 0.57 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
isobongkrekic acid 28 0.58 0.46 0.57 1.0 Non detected. MIBiG Source CO[C@H](C/C=C\C=C\CC/C=C/C[C@H](C)/C=C/C(=C/C(=O)O)CC(=O)O)/C(C)=C\C=C(C)C view isobongkrekic acid O O HO O OH
kirromycin 29 0.58 0.47 0.55 1.0 Non detected. MIBiG Source C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@@H]2O[C@H](/C=C/C=C/C=C(C)/C(O)=C3/C(=O)C=CNC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)C1(C)C view kirromycin O OH O NH O O OH O NH O OH OH OH OH
thailandamide B 30 0.57 0.46 0.55 1.0 Non detected. MIBiG Source CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C\C=C(C)\C=C\[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O view thailandamide B O OH O NH O HO HO O OH
thailandamide A 31 0.57 0.46 0.55 1.0 Non detected. MIBiG Source CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C/[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O view thailandamide A O OH O NH O HO OH O OH
Sorangicin A 32 0.57 0.48 0.54 1.0 Non detected. MIBiG Source C/C(=C\C(C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=CC1OC(=O)/C=C\C=C/C=C\[C@H]1OC3C[C@@H]1O[C@@H](/C=C\CC1O[C@H](C[C@H](O)C1C)[C@@H](O)[C@@H](O)/C=C\CC/C=C\C2)C3C view Sorangicin A O OH O O O O O O HO HO HO H H H H H H H H
ansatrienin (mycotrienin) 33 0.57 0.49 0.53 1.0 Non detected. MIBiG Source COC1/C=C\C=C/C=C\CC(OC(=O)[C@@H](C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCC2=CC(=O)C=C(NC(=O)C1)C2=O view ansatrienin (mycotrienin) O O O NH O HO O NH O O
alpha-lipomycin 34 0.57 0.5 0.51 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
Dawenol 35 0.56 0.48 0.52 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
thailandamide lactone 36 0.54 0.48 0.48 1.0 Non detected. MIBiG Source CO[C@H]1[C@@H](C)C(=O)O[C@@]1(C)/C=C/C=C/C(C)=C/C=C/C(O)=C/C(=O)/C=C/C=C(C)/C=C/[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1 view thailandamide lactone O O O OH O NH O HO OH
Myxochromide C 37 0.54 0.54 0.42 1.0 Non detected. MIBiG Source C/C=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)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide C O N O NH O NH O N O NH NH2 O O O H
vicenistatin 38 0.53 0.47 0.46 1.0 Non detected. MIBiG Source CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(/C)C/C(C)=C\C=C/CC[C@H](C)CNC(=O)/C=C\C=C/[C@@H]2C)O[C@@H]1C view vicenistatin NH OH O NH O O
myxalamid 39 0.53 0.49 0.45 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
mycolactone 40 0.53 0.51 0.42 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
Myxochromide A 41 0.53 0.53 0.41 1.0 Non detected. MIBiG Source C/C=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)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](C(N)=O)CCC(=O)O[C@@H]1C view Myxochromide A O N O NH O NH O N O NH O NH NH2 O O O H
bacillaene 42 0.52 0.52 0.4 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
Myxochromide D 43 0.52 0.51 0.4 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
Myxochromide S1 44 0.52 0.52 0.39 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
Myxochromide D 45 0.51 0.5 0.39 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
Myxochromide S 46 0.51 0.5 0.39 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
asukamycin 47 0.49 0.49 0.37 1.0 Non detected. MIBiG Source O=C(/C=C/C=C/C=C/C1CCCCC1)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O view asukamycin O NH OH O NH OH O O O H H
Myxochromide B 48 0.49 0.5 0.35 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](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C view Myxochromide B O N O NH O NH O NH O N O NH O NH NH2 O O O H
Chivosazol 49 0.48 0.49 0.34 1.0 Non detected. MIBiG Source COC1CC(O)/C=C\C=C/C=C\C(C)C(C(C)C(O)CC(C)O)OC(=O)/C=C\C=C/C=C\C(C)=C/C(C)C(OC2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2OC)/C=C\C=C/c2coc(n2)C1C view Chivosazol O OH OH OH O O O O OH O O O N

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