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Overview

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Domains

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Cluster scaffolds:

1

Putative metabolites:

Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure

brasilinolide C 0 0.68 0.65 0.71 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source C[C@@H]1O[C@@H](O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C\C[C@H](O)C[C@H](O)C[C@@H](O)CC[C@@H](C)[C@H](O)C[C@]3(O)O[C@H](C[C@@H](O)C[C@H](O)CCC[C@H](O)[C@@H]4O[C@H]4[C@@H]2C)C[C@H](O)[C@H]3O)C[C@H](O)[C@@H]1O view brasilinolide C
nystatin A1 1 0.65 0.57 0.71 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C\C=C/C=C\C=C/CC/C=C\C=C/[C@H](C)[C@@H](O)[C@H]1C)O2 view nystatin A1
PM100118 2 0.65 0.52 0.66 1.0 Glyco:3/3 * 6-Ring:1/1 MIBiG Source CCC(OC1CC(C)(O)C(OC2CCC(OC(=O)C(C)C(OC3CCC(O)C(C)O3)c3ccc4c(c3)C(=O)C=C(C)C4=O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)/C=C\CC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)CCC1C)O2 view PM100118
PM100117 3 0.65 0.51 0.66 1.0 Glyco:3/3 * 6-Ring:1/1 MIBiG Source CCC(OC1CC(C)(O)C(OC2OC(C)C(OC(=O)C(C)C(OC3CCC(O)C(C)O3)c3ccc4c(c3)C(=O)C=C(C)C4=O)CC2O)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)/C=C\CC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)CCC1C)O2 view PM100117
Amphotericin B 4 0.64 0.56 0.7 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source CC1OC(O[C@H]2/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)C(O)C(N)C1O view Amphotericin B
brasilinolide A 5 0.64 0.6 0.66 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source CCCCC(=O)OC1CC(OC(C)C(C)C(O)C(C)C(O)C(C)C2OC(=O)/C=C\CC(O)CC(O)CC(O)CCC(C)C(O)C[C@@]3(O)O[C@H](CC(O)CC(OC(=O)CC(=O)O)CCCC(O)C4OC4C2C)C[C@H](O)[C@H]3O)OC(C)C1O view brasilinolide A
brasilinolide B 6 0.63 0.57 0.66 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source CCCCC(C(=O)OC)C(=O)O[C@@H]1CCC[C@H](O)[C@@H]2O[C@H]2[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)O[C@H]2C[C@H](OC)[C@H](OC)[C@H](C)O2)OC(=O)/C=C\C[C@H](O)C[C@H](O)C[C@@H](O)CC[C@@H](C)[C@H](O)C[C@]2(O)O[C@@H](C[C@H](O)[C@H]2O)C[C@@H](O)C1 view brasilinolide B
halstoctacosanolide 7 0.62 0.57 0.71 0.4 Glyco:0/3 * 6-Ring:1/1 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
stambomycin C 8 0.62 0.59 0.62 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source C/C1=C/C(CCCC(C)C)C(O)C(O)CCC(C)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)/C=C\C(C)OC(=O)CC2(O)OC(C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C2C)C(C)C(O)/C(C)=C\C=C/CC(O)C(C)C(O)CCCC(O)CC1O view stambomycin C
stambomycin D 9 0.62 0.59 0.62 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source CCCCCCC1/C=C(/C)C(O)CC(O)CCCC(O)C(C)C(O)C/C=C\C=C(\C)C(O)C(C)C2C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C(C)C(O)(CC(=O)OC(C)/C=C\C(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(C)CCC(O)C1O)O2 view stambomycin D
stambomycin A 10 0.62 0.59 0.62 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source CCC(C)CCCC1/C=C(/C)C(O)CC(O)CCCC(O)C(C)C(O)C/C=C\C=C(\C)C(O)C(C)C2C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C(C)C(O)(CC(=O)OC(C)/C=C\C(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(C)CCC(O)C1O)O2 view stambomycin A
stambomycin B 11 0.62 0.59 0.62 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source C/C1=C/C(CCCCC(C)C)C(O)C(O)CCC(C)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)/C=C\C(C)OC(=O)CC2(O)OC(C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C2C)C(C)C(O)/C(C)=C\C=C/CC(O)C(C)C(O)CCCC(O)CC1O view stambomycin B
rimocidin 12 0.6 0.49 0.67 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source CCC[C@@H]1C/C=C\C=C/C=C\C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)CCCC(=O)C[C@@H](O)[C@H](CC)C(=O)O1)C[C@H](O)[C@H]2C(=O)O view rimocidin
ECO-02301 13 0.58 0.56 0.63 0.4 Glyco:1/3 * 6-Ring:0/1 MIBiG Source CC(/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/CC(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN view ECO-02301
Etnangien 14 0.57 0.56 0.72 0.0 Glyco:0/3 * 6-Ring:0/1 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
filipin 15 0.57 0.59 0.7 0.0 Glyco:0/3 * 6-Ring:0/1 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
candicidin 16 0.57 0.53 0.65 0.4 Glyco:1/3 * 6-Ring:0/1 MIBiG Source CC1/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1 view candicidin
meridamycin 17 0.57 0.56 0.61 0.4 Glyco:0/3 * 6-Ring:1/1 MIBiG Source CC/C1=C/C[C@@H](/C(C)=C/[C@@H](C)[C@@H](C)O)OC(=O)C2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](O)[C@H](C)[C@@H](O)C[C@@H](O)C[C@H](O)/C(C)=C\[C@@H](C)CC(C)[C@@H]1O view meridamycin
aculeximycin 18 0.56 0.46 0.57 0.8 Glyco:5/3 * 6-Ring:1/1 MIBiG Source CCC[C@@H](O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)[C@@H](C)[C@@H](O)[C@@H](/C=C/[C@H](O)[C@@H](C)[C@@H]1C/C=C(/C)[C@@H](O)[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H](O)[C@@H](C)[C@H](O)CC2C[C@H](O)[C@@H](O)[C@@](O)(C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](N)[C@H](O)[C@@H](C)O4)[C@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)CC[C@@H](O)C[C@@H](O)C/C=C(/CC)C(=O)O1)O2)CC view aculeximycin