SeMPI 2.0

Cluster scaffolds:

HO

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
heronamide D 11 0.54 0.49 0.71 0.0 Glyco:0/2 * Cl:0/2 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
E-975 12 0.54 0.52 0.69 0.0 Glyco:0/2 * Cl:0/2 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
E-492 13 0.54 0.52 0.68 0.0 Glyco:0/2 * Cl:0/2 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
macrolactin 1b 10 0.55 0.49 0.64 0.4 Glyco:1/2 * Cl:0/2 MIBiG Source C[C@@H]1CCC/C=C\C=C/[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C\C=C/C(=O)O1 view macrolactin 1b HO OH O O OH OH OH OH O O
alpha-lipomycin 15 0.54 0.44 0.65 0.4 Glyco:1/2 * Cl:0/2 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
heronamide B 0 0.59 0.54 0.78 0.0 Glyco:0/2 * Cl:0/2 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
macrolactin 1a 1 0.59 0.59 0.73 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C[C@@H]1CCC/C=C\C=C/[C@@H](O)C[C@@H](O)C/C=C\C=C/[C@H](O)C/C=C\C=C/C(=O)O1 view macrolactin 1a HO HO OH O O
macrolactin 3a 2 0.59 0.59 0.73 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C[C@@H]1CCC/C=C\C=C/C(=O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 view macrolactin 3a O HO OH O O
xenolozoyenone 3 0.58 0.61 0.7 0.0 Glyco:0/2 * Cl:0/2 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
heronamide A 4 0.57 0.53 0.74 0.0 Glyco:0/2 * Cl:0/2 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
macrophorin A 5 0.56 0.44 0.79 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C=C1CCC2C(C)(C)CCCC2(C)C1CC12OC1C(O)C(CO)=CC2=O view macrophorin A O OH OH O
enacyloxin 6 0.56 0.44 0.62 0.67 Glyco:0/2 * Cl:2/2 MIBiG Source CC/C=C/[C@@H](OC(N)=O)[C@@H](Cl)[C@H](O)CC(=O)C(O)C(O)[C@H](C)/C(Cl)=C/C=C/C=C(C)/C=C/C=C/C(=O)O[C@@H]1C[C@@H](C(=O)O)CC[C@@H]1O view enacyloxin O NH2 O Cl OH O OH OH Cl O O O OH OH
isobongkrekic acid 7 0.55 0.54 0.7 0.0 Glyco:0/2 * Cl:0/2 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
myxalamid 8 0.55 0.56 0.68 0.0 Glyco:0/2 * Cl:0/2 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
macrolactin 1c 9 0.55 0.49 0.64 0.4 Glyco:1/2 * Cl:0/2 MIBiG Source CC1CCC/C=C\C=C/C(OC2OC(CO)C(O)C(O)C2O)CC(O)C/C=C\C=C/C(O)C/C=C\C=C/C(=O)O1 view macrolactin 1c O O OH HO OH OH HO OH O O
bongkrekic acid 14 0.54 0.52 0.68 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source COC(C/C=C\C=C\CC/C=C/CC(C)/C=C/C(=C\C(=O)O)CC(=O)O)/C(C)=C\C=C(/C)C(=O)O view bongkrekic acid O O HO O OH O OH
eicosapentaenoic acid 16 0.53 0.48 0.7 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O view eicosapentaenoic acid O OH
Malleilactone 17 0.52 0.45 0.7 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source CCCCCCC/C=C(C)/C(O)=C1\C=C(C(=O)CC)OC1=O view Malleilactone OH O O O
vicenistatin 18 0.52 0.48 0.57 0.4 Glyco:1/2 * Cl:0/2 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
fostriecin 19 0.51 0.47 0.67 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)(O)O view fostriecin OH O O OH HO O P O HO OH
E-837 20 0.51 0.47 0.67 0.0 Glyco:0/2 * Cl:0/2 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
heronamide E 21 0.51 0.5 0.64 0.0 Glyco:0/2 * Cl:0/2 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
Curacin A 22 0.51 0.53 0.62 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC(C2C[C@@H]2C)=N1)OC view Curacin A S N O
difficidin 23 0.51 0.55 0.6 0.0 Glyco:0/2 * Cl:0/2 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
fusarin 24 0.5 0.44 0.68 0.0 Glyco:0/2 * Cl:0/2 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
filipin 25 0.5 0.47 0.65 0.0 Glyco:0/2 * Cl:0/2 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
Wortmanamide 26 0.5 0.51 0.61 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C[C@@H](O)C/C=C/CCCCCCCC/C=C/C(=O)NCCCCC(=O)O view Wortmanamide OH O NH O OH
brefeldin A 27 0.49 0.43 0.65 0.0 Glyco:0/2 * Cl:0/2 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
viguiepinol 28 0.48 0.45 0.63 0.0 Glyco:0/2 * Cl:0/2 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
Aurafuron A 29 0.48 0.47 0.61 0.0 Glyco:0/2 * Cl:0/2 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
bacillaene 30 0.48 0.55 0.55 0.0 Glyco:0/2 * Cl:0/2 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
heronamide C 31 0.48 0.57 0.54 0.0 Glyco:0/2 * Cl:0/2 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
BE-14106 32 0.48 0.57 0.54 0.0 Glyco:0/2 * Cl:0/2 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
hitachimycin 33 0.47 0.46 0.6 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source CO[C@H]1C[C@@H]2/C=C(C)\C=C/C=C\C(=O)N[C@@H](c3ccccc3)C/C=C\CC[C@H](O)CC(=O)C2=C1O view hitachimycin O O NH OH O OH H
phenalamide 34 0.46 0.49 0.56 0.0 Glyco:0/2 * Cl:0/2 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
Lactimidomycin 35 0.46 0.49 0.56 0.0 Glyco:0/2 * Cl:0/2 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
Dawenol 36 0.46 0.48 0.56 0.0 Glyco:0/2 * Cl:0/2 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
corallopyronin 37 0.45 0.44 0.57 0.0 Glyco:0/2 * Cl:0/2 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
Cinnabaramide 38 0.45 0.44 0.57 0.0 Glyco:0/2 * Cl:0/2 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
8,9-dihydro-9R-hydroxy-LTM 39 0.45 0.44 0.57 0.0 Glyco:0/2 * Cl:0/2 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
Kalimantacin A 40 0.44 0.45 0.55 0.0 Glyco:0/2 * Cl:0/2 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
Argimycin PIX 41 0.43 0.46 0.52 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C/C=C/C=C/CCC1CCCCN1 view Argimycin PIX NH
zeaxanthin 42 0.42 0.45 0.51 0.0 Glyco:0/2 * Cl:0/2 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
cis-7-tetradecenoyl-D-asparagine 43 0.41 0.43 0.5 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source CCCCCCC=CCCCCCC(=O)N[C@H](CC(N)=O)C(=O)O view cis-7-tetradecenoyl-D-asparagine O NH NH2 O O OH
ansatrienin (mycotrienin) 44 0.41 0.45 0.49 0.0 Glyco:0/2 * Cl:0/2 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
Argimycin PIII 45 0.41 0.44 0.49 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source C/C=C/C=C/C=C/C1=NCCCC1 view Argimycin PIII N
beta-carotein 46 0.39 0.46 0.43 0.0 Glyco:0/2 * Cl:0/2 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
Luminmycin 47 0.39 0.47 0.42 0.0 Glyco:0/2 * Cl:0/2 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
fumagillin 48 0.38 0.44 0.42 0.0 Glyco:0/2 * Cl:0/2 MIBiG Source CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2 view fumagillin O O O O O OH O
glidobactin 49 0.38 0.46 0.41 0.0 Glyco:0/2 * Cl:0/2 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

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