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Cluster scaffolds:

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2

Putative metabolites:

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

flaviolin 4 0.65 0.47 0.7 1.0 Non detected. MIBiG Source O=C1C=C(O)c2c(O)cc(O)cc2C1=O view flaviolin
Xenocyloin B 9 0.63 0.41 0.71 1.0 Non detected. MIBiG Source CCC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin B
(-)-Mellein 0 0.68 0.47 0.75 1.0 Non detected. MIBiG Source C[C@@H]1Cc2cccc(O)c2C(=O)O1 view (-)-Mellein
Obafluorin 1 0.67 0.42 0.77 1.0 Non detected. MIBiG Source O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O view Obafluorin
Xenocyloin A 2 0.65 0.43 0.73 1.0 Non detected. MIBiG Source CC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin A
1,8-dihydroxynaphthalene 3 0.65 0.46 0.71 1.0 Non detected. MIBiG Source Oc1cccc2cccc(O)c12 view 1,8-dihydroxynaphthalene
myxochelin A 5 0.65 0.47 0.69 1.0 Non detected. MIBiG Source O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1cccc(O)c1O view myxochelin A
4-hydroxy-3-nitrosobenzamide 6 0.64 0.41 0.72 1.0 Non detected. MIBiG Source NC(=O)c1ccc(O)c(N=O)c1 view 4-hydroxy-3-nitrosobenzamide
myxochelin B 7 0.64 0.46 0.69 1.0 Non detected. MIBiG Source NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O view myxochelin B
pyoluteorin 8 0.64 0.44 0.69 1.0 Non detected. MIBiG Source O=C(c1cc(Cl)c(Cl)[nH]1)c1c(O)cccc1O view pyoluteorin
6-methylsalicyclic acid 10 0.63 0.44 0.68 1.0 Non detected. MIBiG Source Cc1cccc(O)c1C(=O)O view 6-methylsalicyclic acid
vanchrobactin 11 0.63 0.43 0.68 1.0 Non detected. MIBiG Source NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O view vanchrobactin
1,3,6,8-tetrahydroxynaphthalene 12 0.62 0.37 0.72 1.0 Non detected. MIBiG Source Oc1cc(O)c2c(O)cc(O)cc2c1 view 1,3,6,8-tetrahydroxynaphthalene
Fluostatin F 20 0.59 0.38 0.64 1.0 Non detected. MIBiG Source CO[C@@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@@]2(C)O[C@@H]12 view Fluostatin F
1,6-dihydro-8-propylanthraquinone 21 0.59 0.43 0.6 1.0 Non detected. MIBiG Source CCCc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O view 1,6-dihydro-8-propylanthraquinone
benzoxazinone DIMBOA 13 0.62 0.38 0.7 1.0 Non detected. MIBiG Source COc1ccc2c(c1)OC(O)C(=O)N2O view benzoxazinone DIMBOA
dhurrin 14 0.62 0.41 0.68 1.0 Non detected. MIBiG Source N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 view dhurrin
aspyridone A 15 0.61 0.41 0.66 1.0 Non detected. MIBiG Source CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O view aspyridone A
Orsellinic acid 16 0.61 0.42 0.65 1.0 Non detected. MIBiG Source Cc1cc(O)cc(O)c1C(=O)O view Orsellinic acid
2,4-Diacetylphloroglucinol 17 0.61 0.48 0.61 1.0 Non detected. MIBiG Source CC(=O)c1c(O)cc(O)c(C(C)=O)c1O view 2,4-Diacetylphloroglucinol
cichorine 18 0.6 0.4 0.66 1.0 Non detected. MIBiG Source COc1c(C)c(O)cc2c1CNC2=O view cichorine
Fluostatin G 19 0.59 0.38 0.64 1.0 Non detected. MIBiG Source CO[C@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@]2(C)O[C@H]12 view Fluostatin G
thalnumycin A 22 0.59 0.47 0.57 1.0 Non detected. MIBiG Source CCC1C(=O)c2c(cc3cccc(O)c3c2O)CC1(C)O view thalnumycin A
2,5-dialkylresorcinols 23 0.58 0.39 0.61 1.0 Non detected. MIBiG Source CC(C)CCCc1cc(O)c(C(C)C)c(O)c1 view 2,5-dialkylresorcinols
atromentin 24 0.58 0.42 0.6 1.0 Non detected. MIBiG Source O=C1C(O)=C(c2ccc(O)cc2)C(=O)C(O)=C1c1ccc(O)cc1 view atromentin
thalnumycin B 25 0.58 0.44 0.59 1.0 Non detected. MIBiG Source CCC1C(=O)c2c(cc3c(O)ccc(O)c3c2O)CC1(C)O view thalnumycin B
AQ-256 26 0.58 0.42 0.59 1.0 Non detected. MIBiG Source O=C1c2cccc(O)c2C(=O)c2c(O)cc(O)cc21 view AQ-256
monodictyphenone 27 0.58 0.45 0.58 1.0 Non detected. MIBiG Source Cc1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1 view monodictyphenone
desmethylbassianin 28 0.57 0.37 0.62 1.0 Non detected. MIBiG Source CC[C@@H](C)/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O view desmethylbassianin
marinacarboline b 29 0.57 0.37 0.62 1.0 Non detected. MIBiG Source CC(=O)c1nc(C(=O)NCCc2ccc(O)cc2)cc2c1[nH]c1ccccc12 view marinacarboline b
Xenocoumacin II 30 0.57 0.38 0.61 1.0 Non detected. MIBiG Source CC(C)CC(NC(=O)C(O)C(O)C1CCCN1)C1Cc2cccc(O)c2C(=O)O1 view Xenocoumacin II
Rishirilide B 31 0.57 0.39 0.6 1.0 Non detected. MIBiG Source CC(C)CCC1(O)c2cc3c(O)cccc3cc2C(=O)C(C)C1(O)C(=O)O view Rishirilide B
Fimsbactin A 32 0.57 0.39 0.6 1.0 Non detected. MIBiG Source CC(=O)N(O)CCCCNC(=O)[C@H](COC(=O)c1cccc(O)c1O)NC(=O)[C@@H]1COC(c2cccc(O)c2O)=N1 view Fimsbactin A
chloramphenicol 33 0.57 0.4 0.59 1.0 Non detected. MIBiG Source O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl view chloramphenicol
naringenin 34 0.57 0.42 0.58 1.0 Non detected. MIBiG Source O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 view naringenin
AQ-270a 35 0.57 0.41 0.58 1.0 Non detected. MIBiG Source COc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O view AQ-270a
isopropylstilbene 36 0.57 0.43 0.57 1.0 Non detected. MIBiG Source CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O view isopropylstilbene
emodin 37 0.56 0.39 0.58 1.0 Non detected. MIBiG Source Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O view emodin
rabelomycin 38 0.56 0.42 0.56 1.0 Non detected. MIBiG Source C[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 view rabelomycin
UWM6 39 0.56 0.42 0.56 1.0 Non detected. MIBiG Source C[C@]1(O)CC(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 view UWM6
endocrocin 40 0.55 0.37 0.58 1.0 Non detected. MIBiG Source Cc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C2=O view endocrocin
Dehydrorabelomycin 41 0.55 0.38 0.57 1.0 Non detected. MIBiG Source Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=O view Dehydrorabelomycin
prejadomycin 42 0.55 0.42 0.54 1.0 Non detected. MIBiG Source CC1=CC(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 view prejadomycin
K1115A 43 0.55 0.42 0.54 1.0 Non detected. MIBiG Source CCCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O view K1115A
gaudimycin C 44 0.54 0.38 0.55 1.0 Non detected. MIBiG Source CC1=CC(=O)[C@]2(O)C3=C(C(=O)c4c(O)cccc4C3=O)[C@@H](O)C[C@]2(O)C1 view gaudimycin C
nogalaviketone 45 0.53 0.38 0.53 1.0 Non detected. MIBiG Source COC(=O)[C@@H]1c2cc3c(c(O)c2C(=O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O view nogalaviketone
nogalavinone 46 0.53 0.38 0.53 1.0 Non detected. MIBiG Source COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O view nogalavinone
asparasone A 47 0.53 0.37 0.53 1.0 Non detected. MIBiG Source CC(=O)CC(O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O view asparasone A
Tetarimycin B 48 0.52 0.37 0.52 1.0 Non detected. MIBiG Source CC1(O)CC(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3(C)C view Tetarimycin B
nogalonic acid 49 0.51 0.38 0.49 1.0 Non detected. MIBiG Source CC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2=O view nogalonic acid

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