SeMPI 2.0

Cluster scaffolds:

OH OH O OH OH OH OH OH OH OH 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
macrobrevin 14 0.48 0.48 0.61 0.0 Glyco:0/3 * 6-Ring:0/1 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
candicidin 0 0.63 0.59 0.72 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 O O OH H2N HO HO O OH HO O OH OH OH O O O O OH O NH2
Amphotericin B 1 0.62 0.59 0.64 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 O O HO O O OH OH OH OH OH OH OH O OH O OH NH2 OH H
Sorangicin A 2 0.61 0.48 0.78 0.33 Glyco:0/3 * 6-Ring:2/1 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
nystatin A1 3 0.6 0.55 0.63 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 O O HO OH OH OH OH OH OH O OH O O OH NH2 HO HO O H
Etnangien 4 0.58 0.61 0.7 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 O OH O O OH OH O HO HO OH OH
brasilinolide C 5 0.58 0.45 0.66 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 O O OH OH O O OH OH OH OH OH O OH OH HO O OH OH OH OH H H H
halstoctacosanolide 6 0.57 0.48 0.67 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 OH OH OH OH HO O OH OH O O O O
ECO-02301 7 0.56 0.56 0.59 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 O NH OH O OH OH O O OH OH OH O HO HO HO HO HO HO HO HO HO H2N
brasilinolide A 8 0.55 0.43 0.61 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 O O O OH OH O O OH OH OH OH OH O OH O O O OH HO O OH OH O OH H
filipin 9 0.53 0.57 0.64 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 OH O O HO OH OH OH OH OH OH HO
rimocidin 10 0.52 0.48 0.52 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 O O OH H2N OH O OH OH O OH O O HO O HO H
Elansolid A1 11 0.49 0.5 0.61 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source COC(c1ccc(O)cc1)C1C(/C=C\C=C\C=C/C(O)C(C)C(O)C/C=C(C)/C=C/C(=O)O)C(C)=CC2C1C(C)(C)C[C@]2(C)O view Elansolid A1 O OH HO OH O OH OH
Spirangien A1 12 0.49 0.46 0.55 0.33 Glyco:0/3 * 6-Ring:2/1 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
sanglifehrin A 13 0.49 0.46 0.53 0.4 Glyco:0/3 * 6-Ring:1/1 MIBiG Source CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@H](C[C@H](O)[C@@H](C)CC/C=C/C=C(\C)[C@@H]1C/C=C\C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3cccc(O)c3)C(=O)N3CCC[C@H](N3)C(=O)O1)[C@H](C)[C@H](O)[C@@H]2C view sanglifehrin A NH O O OH OH OH O O NH O NH OH O N NH O O OH H
meridamycin 15 0.48 0.47 0.51 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 OH O O N O O OH O HO HO HO OH OH H
pimaricin 16 0.48 0.43 0.48 0.67 Glyco:1/3 * 6-Ring:1/1 MIBiG Source C[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)C[C@H]3O[C@@H]3/C=C\C(=O)O1)C[C@H](O)[C@H]2C(=O)O view pimaricin O O OH NH2 HO O OH OH O O O OH O OH H H H
naphthomycin 17 0.46 0.44 0.59 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source C/C1=C/C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(/C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C(C)=C\C=C/C=C\[C@H](C)[C@@H](O)CC1=O)C3=O view naphthomycin OH OH O OH O Cl NH O HO O O H H H H H H
macrolactin 1a 18 0.46 0.48 0.55 0.0 Glyco:0/3 * 6-Ring:0/1 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 1b 19 0.45 0.48 0.44 0.4 Glyco:1/3 * 6-Ring:0/1 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
macrolactin 1c 20 0.45 0.47 0.44 0.4 Glyco:1/3 * 6-Ring:0/1 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
heronamide C 21 0.44 0.45 0.54 0.0 Glyco:0/3 * 6-Ring:0/1 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
alpha-lipomycin 22 0.44 0.45 0.44 0.4 Glyco:1/3 * 6-Ring:0/1 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
macrolactin 3a 23 0.43 0.42 0.54 0.0 Glyco:0/3 * 6-Ring:0/1 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
xanthomonadin 24 0.43 0.45 0.53 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source COc1cc(/C(Br)=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC(C)C)ccc1Br view xanthomonadin O Br O O Br
dephosphonocalyculin A 25 0.43 0.42 0.44 0.4 Glyco:0/3 * 6-Ring:1/1 MIBiG Source [C-]#[N+]/C=C(C)\C=C\C=C(C)\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@H](OC)[C@H]1OC2(C[C@@H](O)[C@H](C)[C@H](C/C=C/c3coc([C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)n3)O2)C(C)(C)[C@H]1O view dephosphonocalyculin A C- N+ OH OH O O OH O NH O OH OH O N N O OH
enacyloxin 26 0.41 0.43 0.49 0.0 Glyco:0/3 * 6-Ring:0/1 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
kirromycin 27 0.41 0.43 0.4 0.4 Glyco:0/3 * 6-Ring:1/1 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
phenalamide 28 0.4 0.44 0.46 0.0 Glyco:0/3 * 6-Ring:0/1 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
flexirubin 29 0.4 0.5 0.43 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(O)c(C)c1 view flexirubin HO O O OH
Chivosazol 30 0.4 0.52 0.32 0.4 Glyco:1/3 * 6-Ring:0/1 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
tiacumicin B 31 0.4 0.42 0.31 0.67 Glyco:2/3 * 6-Ring:0/1 MIBiG Source CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C/C=C\C[C@H](O)/C(C)=C\[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C\C(C)=C/CC([C@@H](C)O)OC2=O)O[C@@H]1C view tiacumicin B Cl HO Cl OH O O OH O O OH O O O O OH HO HO O O O
Thuggacin A 32 0.39 0.46 0.44 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source C/C=C(C)/C=C(\C)C(O)C(C)[C@@H](O)[C@H](O)[C@@H]1C/C=C\C=C/[C@@H](O)C[C@H](O)[C@@H](C)c2nc(cs2)/C=C(/CCCCCC)C(=O)O1 view Thuggacin A OH OH OH OH OH N S O O
Cmc-thuggacin B 33 0.38 0.43 0.43 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source C/C=C(C)/C=C(\C)CC(C)C1OC(=O)/C(C)=C\c2csc(n2)C(CO)C(O)CC(O)/C=C\C=C/CC(O)C1O view Cmc-thuggacin B O O S N HO HO HO OH OH
thailandamide B 34 0.38 0.48 0.4 0.0 Glyco:0/3 * 6-Ring:0/1 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 35 0.38 0.48 0.4 0.0 Glyco:0/3 * 6-Ring:0/1 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
Cmc-thuggacin A 36 0.37 0.42 0.43 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source C/C=C(C)/C=C(\C)CC(C)C(O)C(O)C1C/C=C\C=C/C(O)CC(O)C(CO)c2nc(cs2)/C=C(/C)C(=O)O1 view Cmc-thuggacin A OH OH OH OH OH N S O O
mycolactone 37 0.36 0.46 0.38 0.0 Glyco:0/3 * 6-Ring:0/1 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
thailandamide lactone 38 0.35 0.47 0.35 0.0 Glyco:0/3 * 6-Ring:0/1 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
colabomycin E 39 0.34 0.46 0.33 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source C/C=C/C=C\C=C\C=C\C=C\C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C2OC2C1=O view colabomycin E O NH OH O NH HO O O O
Myxochromide C 40 0.33 0.49 0.3 0.0 Glyco:0/3 * 6-Ring:0/1 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
Myxochromide A 41 0.32 0.47 0.29 0.0 Glyco:0/3 * 6-Ring:0/1 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 0.31 0.45 0.28 0.0 Glyco:0/3 * 6-Ring:0/1 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 0.31 0.45 0.28 0.0 Glyco:0/3 * 6-Ring:0/1 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 0.31 0.44 0.28 0.0 Glyco:0/3 * 6-Ring:0/1 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 S 45 0.31 0.44 0.28 0.0 Glyco:0/3 * 6-Ring:0/1 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
Myxochromide D 46 0.31 0.44 0.28 0.0 Glyco:0/3 * 6-Ring:0/1 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 B 47 0.28 0.43 0.24 0.0 Glyco:0/3 * 6-Ring:0/1 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
echinocandin B 48 0.26 0.43 0.2 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O view echinocandin B O NH OH OH NH O OH N O OH NH O HO OH HO NH O OH N O OH NH O H H
pneumocandin B0 49 0.26 0.43 0.19 0.0 Glyco:0/3 * 6-Ring:0/1 MIBiG Source CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O view pneumocandin B0 O NH OH OH NH O OH N O OH H2N O NH O OH OH HO NH O OH N O OH NH O H H

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