MonarchInit/C3PO huggingface dataset:
Compound: Monomethylsulochrin-4-sulphate
SMILES: S(=O)(=O)(OC1=CC(OC)=C(C(=O)C2=C(OC)C=C(C)C=C2OC)C(=C1)C(=O)OC)O
Compound: 8-Zinniol methyl ether
SMILES: O(C1=C(C(OC)=C(COC)C(=C1)CO)C)CC=C(C)C
Compound: Mer-A2026B
SMILES: O=C1C(=C(NC(=C1)OC)C/C=C(/C/C=C/C(=C/C(C(O)/C(=C/C)/C)C)/C)\C)C
Compound: 24-epi-6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-diene-21,24-lactone
SMILES: O=C/1O[C@H](C(O)(C)C)CC\C1=C\2/[C@H]3[C@]([C@]4(C(=O)[C@@H](OC(=O)C)[C@H]5[C@@H](C(=O)C=C[C@@]5([C@@H]4CC3)C)C)C)(C)C[C@@H]2OC(=O)C
Compound: 1-Cyclohexyloctadecane
SMILES: C1(CCCCC1)CCCCCCCCCCCCCCCCCC
Compound: Leptazoline D
SMILES: O=C(NC(CO)CO)[C@@H](O)[C@@H](O)[C@@H]1N=C(C2=C(O)C=CC=C2)O[C@H]1C
Compound: 2-hydroxy-6-(hydroxymethyl)-4-methylphenyl 2-hydroxy-3-(2-isopentenyl)benzoate
SMILES: O=C(OC1=C(O)C=C(C)C=C1CO)C2=C(O)C(=CC=C2)CC=C(C)C
Compound: Neoabybetaomicin D
SMILES: O=C1[C@]23C=C[C@]45[C@]2(O[C@]([C@H]3O)([C@@H](C)C4)C)C(=C(O)CC[C@@H]1C)C(=O)O5
Compound: Trichodermatide C
SMILES: O=C1C2=C(O[C@H](/C=C/CCCCC)CC2)CC[C@@H]1O
Compound: 19S,20-epoxy-18-oxotryprostatin A
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC3=C(NC4=C3C=CC(=C4)OC)C(=O)[C@H]5OC5(C)C)CCC2
Compound: Periconiastone A
SMILES: O=C1[C@H]2[C@]3([C@H]4CC[C@]5([C@]4(C1)[C@]([C@@H]2C(=O)CC3)(O)CC[C@@H]5[C@@H](C=C[C@@H](C(C)C)C)C)C)C
Compound: N-Methylloline
SMILES: O1[C@H]2[C@H](N(C)C)[C@H]3[C@@H]1CCN3C2
Compound: Neoabybetaomicin E
SMILES: O=C1C=2C(=O)O[C@]34C2O[C@]([C@@H](O)[C@@H]3[C@H]([C@@]5(OC(=O)C(=C5O)C)C)CC([C@H](CC1)C)=O)([C@@H](C)C4)C
Compound: Ramalinic acid B
SMILES: O=C(O)C1=C(O)C(OC2=C(C(=CC(=C2)OC)CCC)C(=O)O)=C(OC)C=C1CCCCC
Compound: W-Cycloheptyl-a-hydroxyundecanoic acid
SMILES: O=C(O)[C@@H](O)CCCCCCCCCC1CCCCCC1
Compound: 20-hydroxy-18-oxotryprostatin A
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC3=C(NC4=C3C=CC(=C4)OC)C(=O)CC(O)(C)C)CCC2
Compound: (-)-lucidumone
SMILES: O=C1C2=C(O)C=CC(=C2[C@]34[C@H]1[C@@]5(C(=O)C)[C@H](O)[C@H]([C@@H]3CC5)CO4)O
Compound: 3-chloro-6,8-dihydroxy-8-alpha-lapachone
SMILES: Cl[C@H]1C(OC=2C(=O)C=3C=C(O)C=C(C3C(C2C1)=O)O)(C)C
Compound: Benzocamphorin A
SMILES: O=C(C#CC1=C(C(OC)=C(OC)C2=C1OCO2)C)C
Compound: (+)-lucidumone
SMILES: O=C1C2=C(O)C=CC(=C2[C@@]34[C@@H]1[C@]5(C(=O)C)[C@@H](O)[C@@H]([C@H]3CC5)CO4)O
Compound: Pseurotin H
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)C([C@@]13OC(CO)=C(C3=O)C)O
Compound: Pterulamide III
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC)[C@H](CC)C)C)C(C)C)C(C)C)C)[C@H](CC)C)C)C)C)C1=CC=CC=C1
Compound: Neoabybetaomicin A2
SMILES: O=C1[C@H](CCC(=O)[C@H]2[C@H](C1)[C@@H]3[C@@]4(C(=O)O[C@@]([C@H]3O)(C)[C@H](C4)C)OC2=O)C
Compound: Emindole PC
SMILES: O1[C@@H]2[C@]([C@H]3C(C([C@H](CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)CC3)(C)C)=CC2)(CC[C@@H]1C(O)(C)C)C
Compound: Chermebilaene A
SMILES: O=C(O[C@@H]1C(=CC[C@@]2(C1)[C@@H](C(=C)C)[C@H](OC(=O)C)C[C@@H]2C)C)CCCCCCCC=CCC=CCCCCC
Compound: N-2-butyric-azochaetoviridin E
SMILES: ClC1=C2C(C3=C(C(=O)/C(=C/C)/C)C(O[C@@]3(C1=O)C)=O)=CN(CCCC(=O)O)C(=C2)/C=C/[C@H](CC)C
Compound: Albogrisin B
SMILES: O=C1N(C=C(C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)N([C@@H]1[C@H](OC)C(=O)C2=C(N)C=CC=C2)C)C
Compound: Brevianamide N
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(=O)NC([C@@H]2CC4=CC=CC=C4)=O
Compound: Plocamenol B
SMILES: BrCC(Cl)([C@H](O)C/C=C(/[C@@H](O)CBr)\C)C
Compound: Neoabybetaomicin F
SMILES: S([C@@H]1[C@H]2C(=O)[C@H](CCC(=C3[C@]24O[C@@]5([C@H]([C@H]1[C@@]4(OC3=O)C[C@@H]5C)O)C)O)C)[C@@H]6[C@H]7C(=O)[C@H](CCC(=C8[C@]79O[C@@]%10([C@H]([C@H]6[C@@]9(OC8=O)C[C@@H]%10C)O)C)O)C
Compound: Chermebilaene B
SMILES: O=C1OC[C@]2([C@@]3(O[C@]45O[C@@]6(OC([C@H]([C@@H]([C@]4(C3)C)C)[C@@H]6O5)=O)C)[C@H]([C@@H](O)C[C@H]2C(O)(C)C)C)CC1
Compound: (2E)-11-(4'-aminophenyl)-5,9-O-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
SMILES: O=C(O)/C=C/C([C@H]1O[C@H]([C@H](C)C[C@H]1C)CC(=O)C2=CC=C(N)C=C2)C
Compound: Albogrisin B′
SMILES: O=C1N(C=C(C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)N([C@@H]1[C@@H](OC)C(=O)C2=C(N)C=CC=C2)C)C
Compound: Butyl lucidenate E2
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@@H](CCC(=O)OCCCC)C)C
Compound: Thielavin K
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Neoabybetaomicin G
SMILES: S([C@H]1[C@@H]2[C@]34OC(=O)C(=C3O[C@@]([C@H]2O)(C)[C@H](C4)C)C(=O)CC[C@@H](C(C1)=O)C)[C@@H]5[C@H]6C(=O)[C@H](CCC(=C7[C@]68O[C@@]9([C@H]([C@H]5[C@@]8(OC7=O)C[C@@H]9C)O)C)O)C
Compound: Aspamide F
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@](O)(NC([C@@H]2CC4=CC=CC=C4)=O)C
Compound: 5-O-a-D-glucopyranosyl-5-hydroxymellein
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2OC3OC(C(O)C(C3O)O)CO)C
Compound: Aurasperone H
SMILES: O=C1C=2C(OC(=C1)CC(O)C)=C(C3=C(OC)C4=C(O)C=5C(=O)C=C(C)OC5C=C4C=C3OC)C6=CC(OC)=CC(=C6C2O)OC
Compound: Albogrisin C
SMILES: O=C1NC2=C(C=CC=C2)C3([C@@]1(N([C@@H](C(=O)NC)[C@@H]3OC)C)C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)O
Compound: Dinghupeptin A
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/C)CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCC(=O)NCCO)C
Compound: Nostocyclophane D
SMILES: Cl[C@H]1C[C@@H](OC)C2=CC(O)=C([C@H](CCC[C@@H](Cl)C[C@H](C3=CC(=C([C@H](CCC1)CCCC)C(O)=C3)O)OC)CCCC)C(=C2)O
Compound: Aspamide G
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@](O)(NC([C@@H]2CC4=CC=CC=C4)=O)CC
Compound: Cylindrocyclophane A2
SMILES: ClC(Cl)CCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: Shimalactone A
SMILES: O=C1O[C@H]2[C@@H](C)C([C@@]1([C@@]2(/C=C(/[C@@H]3[C@@]4(C=C(C=C([C@@H]4[C@]3([C@H](O)/C(=C/C)/C)C)C)C)C)\C)C)C)=O
Compound: Albogrisin C′
SMILES: O=C1NC2=C(C=CC=C2)C3([C@@]1(N([C@@H](C(=O)NC)[C@H]3OC)C)C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)O
Compound: Naquihexcin A
SMILES: S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)[C@]45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO[C@H]7OC(C(=O)O)=C[C@H]([C@@H]7O)O)C)=O
Compound: Dinghupeptin B
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/C)CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)OC)CCC(=O)NCCO)C
Compound: (+)-aspamide D
SMILES: O=C/1N2[C@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2
Compound: Manumycin E
SMILES: O=C1C(NC(=O)/C=C/C=C/C=C/CCC(C)C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C3C1O3
Compound: Majusculamide C
SMILES: O=C1NC(C(=O)NC(C(C(=O)OC(C(=O)NCC(=O)N(C(C(CC)C)C(NCC(N(C(C(N(C(C(NC(C(C1(C)C)=O)C)=O)CC2=CC=C(OC)C=C2)C)=O)C(C)C)C)=O)=O)C)C(CC)C)C)CC)C
Compound: Albogrisin D
SMILES: O=C1NC2=C(C=CC=C2)C3([C@@]1(N([C@@H](C(=O)NC)[C@@H]3OC)C)C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)OC)O
Compound: Dinghupeptin C
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/C)CCC(=O)N)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N([C@H](C(N[C@H]1C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)=O)CCC(=O)NCCO)C
Compound: Cladoacetal A
SMILES: O1[C@H]2O[C@@H]([C@@H]1C=CC=3C2=C(O)C=CC3)C
Compound: Streptocidin B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)CCCN)=O)C(C)C)=O)CC=4C5=C(C=CC=C5)NC4)CCC(=O)N)CC(=O)N)CC=6C7=C(C=CC=C7)NC6)CC(C)C)CCC2
Compound: (-)-aspamide D
SMILES: O=C/1N2[C@@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2
Compound: Gobichelin A
SMILES: O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2)CC=4NC=NC4)CCCCN)CO
Compound: Dinghupeptin D
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/C)CCC(=O)N)C(=O)N[C@H](C(=O)N2[C@H](OC)CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H]1C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)=O)CCC(=O)NCCO)C
Compound: Albogrisin D′
SMILES: O=C1NC2=C(C=CC=C2)C3([C@@]1(N([C@@H](C(=O)NC)[C@H]3OC)C)C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)OC)O
Compound: Euplectin
SMILES: O=C1C2=C(OC(=C1)C)C3=C(O)C=4C(=O)C=CC4C=C3C=C2O
Compound: Azoxymycin C
SMILES: O=C(O)C=CC=CC1=CC=C([N+]([O-])=NC2=CC=C(C=CC=CC(=O)O)C=C2)C=C1
Compound: Aspamide A
SMILES: O=C/1N2[C@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C
Compound: Brasilamide B
SMILES: O=C(N)/C(=C/CCC12C3[C@@H](C(O)(CC1C3)OC2)C)/C
Compound: Asperterpene M
SMILES: O=C1O[C@H](C(=O)[C@@]2([C@]1(C(=C)C[C@H]3[C@]4([C@@H](C(C(=O)CC4)(C)C)C(C[C@]23C)=O)C)C)C(=O)OC)C
Compound: Albogrisin E
SMILES: O=C1N(C2=C(C=3C(=CC=CC3)N=C2C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)C(=C1)OC)C
Compound: Scirpyrone A
SMILES: O=C1OC(=CC(=C1)OC)[C@@]2(OC(=O)[C@@H](C2)O)CCCC
Compound: Neopyrrolomycin C
SMILES: ClC1=C(N2C(Cl)=C(Cl)C(=C2)Cl)C(O)=CC(=C1)Cl
Compound: 5-Chloroisorotiorin
SMILES: ClC1=C2C(C3=C(C(=O)C)C(O[C@]3(C1=O)C)=O)=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: Aspamide B
SMILES: O=C/1N2[C@@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C
Compound: Asperterpene D
SMILES: O=C1C(O)=C2[C@](CCC(C2(C)C)=O)(C)[C@@]34[C@]1([C@H]5C(=O)O[C@@](C(=O)OC)(C)C([C@]5(C)C([C@@H]3O4)=C)=O)C
Compound: Phlebiachrysoic acid C
SMILES: O=C1C(OC)=CC(=O)C(=C1CCCCCCC/C=C\CCCCC/C=C/C(=O)O)O
Compound: Neoenterocin A
SMILES: O=C1C2=C(OC(=C2C[C@@H](C1)O)C(=O)C(=O)C3=CC=CC=C3)/C=C(/OC)\C
Compound: (3R,4S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
SMILES: O1[C@@H]([C@@H](O)C2=CC3=CC(OC)=CC(=C3C(=C2C1)O)OC)C
Compound: Aspamide C
SMILES: O=C1N2[C@H](C(=O)NC1=CC=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C[C@H](C2)O
Compound: Roseobacticide H
SMILES: S(C=1C=C2OC(=O)C(=C2C=CC1)C3=CC=C(O)C=C3)C4=CC=C(O)C=C4
Compound: Asperterpene E
SMILES: O=C1[C@](OC(=O)[C@H]2[C@]1(C(=C)C[C@H]3[C@]4([C@H](C(C(=O)CC4)(C)C)C([C@H]([C@]23C)O)=O)C)C)(C(=O)OC)C
Compound: Penidiamide
SMILES: O=C(NCC(=O)N/C=C/C=1C2=C(C=CC=C2)NC1)C3=C(N)C=CC=C3
Compound: Neoenterocin B
SMILES: O=C1C2=C(OC(=C2C[C@@H]([C@H]1O)O)C(=O)C(=O)C3=CC=CC=C3)/C=C(/OC)\C
Compound: GGL.1
SMILES: O=C(OC(COC(=O)CCCCCCCCCCCC(C)C)COC1OC(C(O)C(C1O)O)COC2OC(C(O)C(C2O)O)CO)CCCCCCCCCCCC(C)C
Compound: Longidiacid A
SMILES: O=C(O)CC1=C(CC[C@H]2[C@]1(CCC[C@]2(COC(=O)C)C)C)CC(=CCOC(=O)C)C
Compound: 12-epi-fischerindole I nitrile
SMILES: Cl[C@H]1[C@](C(C#N)=C2C=3C4=C(C=CC=C4)NC3C([C@H]2C1)(C)C)(C=C)C
Compound: Asperterpene F
SMILES: O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@H](O)C(=O)[C@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C
Compound: Varioxiranol E
SMILES: O=C1O[C@H]([C@H](O)/C=C/C2=C(C(OC)=CC=C2)CO)[C@@H](O1)[C@@H](O)C
Compound: (+)-asperginulin A
SMILES: O=C1N2[C@]3(C(=O)NC1=CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)[C@]67N(C(=O)/C(=C/C=8C9=C(C=CC=C9)NC8C(C=C)(C)C)/NC6=O)CC[C@H]7[C@@H]3CC2
Compound: Phomopsolidone C
SMILES: O=C1O\C(=C/C=C/[C@H](O)[C@@H](O)C)\C=C1
Compound: Longidiacid B
SMILES: O=C(O)CC1=C(CC[C@H]2[C@]1(CCC[C@]2(CO)C)C)CC(=CCO)C
Compound: Asperterpene G
SMILES: O=C1[C@](OC(=O)[C@@H]2[C@]1(C(=C)C[C@H]3[C@]4([C@@H](C(C(=O)CC4)(C)C)C([C@H]([C@]23C)O)=O)C)C)(C(=O)OC)C
Compound: Mangicol C
SMILES: O=C(C(O)(C)C)[C@@H](O)C[C@@]1([C@@H]2[C@](C=C3[C@@H](C)C[C@H]([C@@]43[C@H]2CC[C@@H]4C)O)(C)CC1)C
Compound: Tricholomalide B
SMILES: O=C1O[C@@H]2C[C@@]3(C(C(=O)C[C@H]3C(C)C)=C[C@]([C@@]2(C1)C)(O)C(=C)CO)C
Compound: (-)-asperginulin A
SMILES: O=C1N2[C@@]3(C(=O)NC1=CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)[C@@]67N(C(=O)/C(=C/C=8C9=C(C=CC=C9)NC8C(C=C)(C)C)/NC6=O)CC[C@@H]7[C@H]3CC2
Compound: Longichromone A
SMILES: O=C1C2=C(OC(=C1)C=CC)C(O)=C(OC)C=C2C(=O)OC
Compound: Roseotoxin B
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@H](CC=C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)[C@H](CC)C)=O)[C@H](CC2)C)=O)C)C
Compound: Asperterpene H
SMILES: O=C1[C@](OC(=O)[C@H]2[C@]1(C(=C)C[C@H]3[C@]4([C@@H](C(C(=O)CC4)(C)C)C([C@H]([C@]23C)O)=O)C)C)(C(=O)OCC)C
Compound: Ophiocerin C
SMILES: O1[C@@H](C[C@H](O)[C@H](C1)O)C
Compound: Divaricatine A
SMILES: O=C1C2=C(C=C3CC(CC3=C2C)(C)C)CO[C@@H]1O
Compound: Longiphthalidin A
SMILES: O=C1O[C@@H]([C@H](OC(=O)C)C)C=2C1=C(O)C=C(O)C2
Compound: Micromonocyclol
SMILES: O[C@@]1(C=CC(CCCC(C)=CCCC(=CCC1)C)(C)C)C
Compound: [D-Asp3]-Microcystin-WR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC=3C4=C(C=CC=C4)NC3)C
Compound: Palmarumycin C3
SMILES: O=C1C2=C(O)C=CC(=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)[C@@H]6[C@H]1O6)O
Compound: Asperterpene I
SMILES: O=C1[C@@H](O)[C@@]2([C@@H](C(=O)OC)[C@@](C(=C)C[C@H]2[C@]3([C@H]1C([C@H](O)CC3)(C)C)C)(C(=O)[C@](O)(C(=O)OC)C)C)C
Compound: Fusapyrone
SMILES: O=C1OC(=CC(=C1[C@H]2O[C@H](C[C@H]([C@@H]2O)O)CO)O)C(C(O)/C=C/C(=C/C(/C=C(\CC(CCCCCC)C)/C)CO)/C)(C)C
Compound: Longichalasin A
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@@H](C(=C)[C@@H]4[C@@H]3[C@H]5[C@@H](C[C@@H](C=C([C@@H]5C1)C)C)O4)C)CC6=CC=CC=C6
Compound: Monakaocinol
SMILES: O=C1C2=C(C=C(/C=C/C)OC2)C[C@@H]3[C@@]1(OC(=O)[C@H]3[C@H](O)CCCCCCC)C
Compound: WS9326A
SMILES: O=C/1N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N)C(N[C@H](C(O[C@@H]([C@@H](C(N(\C1=C\C2=CC=C(O)C=C2)C)=O)NC(=O)/C=C/C3=C(C=CC=C3)/C=C\CCC)C)=O)CO)=O)[C@@H](O)C)CC4=CC=CC=C4)CC(C)C
Compound: Neothamnolic acid
SMILES: O=C1OCC=2C1=C(O)C(=C(O)C2OC(=O)C3=C(O)C(=C(OC)C=C3C)C(=O)O)C
Compound: Asperterpene J
SMILES: O=C1[C@@H](O)[C@@]2([C@@H](C(=O)OC)[C@@](C(=C)C[C@H]2[C@]3([C@@H]1C(C(=O)CC3)(C)C)C)(C(=O)[C@](O)(C(=O)OC)C)C)C
Compound: (-)-8-hydroxyjasmonic acid
SMILES: O=C1[C@@H]([C@@H](CC(=O)O)CC1)C(O)/C=C\CC
Compound: Arabomycin
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3C1C(O)=C4C(C(=O)C[C@@](C4)(O)C)=C3
Compound: Longichalasin B
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)C)C=CC(=C[C@H](CC=C[C@H]4[C@H](O)C(=C)[C@H]3C)C)C
Compound: 3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate
SMILES: O=C1C(=COCC1)CC(=O)OCC2=CC(O)=CC=C2
Compound: GE2270 E
SMILES: S1C2=NC(=C1CO)C(=O)NCC(=O)NC(C=3SC=C(N3)C=4SC=C(N4)C5=C(C6=NC(C(NC(C7=NC(C(NC2C(C)C)=O)=C(S7)C)CC(=O)N)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OCC(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11
Compound: Asperterpene K
SMILES: O=C1C([C@H]2C(=O)C[C@@]3([C@@H](C(=O)OC)[C@@](C(=O)[C@](O)(C(=O)OC)C)(C)C(C[C@H]3[C@]2(C)CC1)=C)C)(C)C
Compound: (3R,4S,5S,6S,9S)-3,4-dihydroxy-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,2'-1H-indole]-2,3',8-trione
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3C=C(C)C)CCC2
Compound: (+)-(2E,4E)-5-((S)-2,2-dimethyl-6-methylenecyclohexyl)-3-methylpenta-2,4-dienoic acid
SMILES: O=C(O)/C=C(/C=C/[C@@H]1C(=C)CCCC1(C)C)\C
Compound: Alternabenzofuran A
SMILES: O=C1O[C@@H](CC(=O)O[C@H]([C@@H](O)C)C)C=2C1=C(O)C=CC2
Compound: 1,1,2,4,4-Pentabromooct-1-en-3-one
SMILES: BrC(Br)=C(Br)C(=O)C(Br)(Br)CCCC
Compound: AI-77-B
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(=O)O)CC(C)C)CC=2C1=C(O)C=CC2
Compound: Citrinoviric acid
SMILES: O=C1O[C@@](C(=O)O)(C)O[C@@]1(CCC(=O)CC/C=C/C)C
Compound: Asperterpene L
SMILES: O=C1C(O)=C2[C@](CCC(C2(C)C)=O)(C)[C@H]3[C@]1([C@@H](C(=O)OC)[C@@](C(=C)C3)(C(=O)[C@](O)(C(=O)OC)C)C)C
Compound: Sanghuanglin
SMILES: O=C(O)/C=C(/CC[C@@H]1C(=C)CCCC1(C)C)\C
Compound: Alternabenzofuran B
SMILES: O=C1O[C@@H](CC(=O)O[C@@H]([C@@H](O)C)C)C=2C1=C(O)C=CC2
Compound: 3beta,5alpha,6beta,8beta,14alpha-pentahydroxy-(22E,24R)-ergost-22-en-7-one
SMILES: O=C1[C@@]2(O)[C@@]3(O)[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC3)(CCC2[C@]4(CC[C@@H](C[C@@]4([C@@H]1O)O)O)C)C
Compound: GE-3
SMILES: O=C1O[C@H]([C@H](NC(=O)C(O)([C@@]2(O[C@H](/C(=C/[C@@H](C(=O)/C(=C/C)/C)C)/C)[C@@H](C)CC2)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(N([C@@H](C(N4[C@H](C(N[C@@H]1[C@@H](O)C)=O)CCCN4)=O)CC(C)C)C)=O)C(C)C
Compound: Xyloallenolide B
SMILES: O1C2=C(C=C(COCC3=CC=C(OCC=C=C)C=C3)C=C2)C[C@H]1C(=C)C
Compound: Trienomycin J
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)CCCC(C)C)C)C
Compound: Terpestacin B
SMILES: O=C1C(O)=C([C@@H](CO)C)[C@@H]2[C@@]1(CC=C(CC[C@H](O)[C@@]3(O[C@H](C(=CC2)C)CC3)C)C)C
Compound: Alternaterpenoid A
SMILES: O=C1C=C([C@H]2[C@@]3([C@]1(CCC[C@@]3(CO)C)C)C2)C
Compound: Malolactomycin D
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C(CC=C(C(C1C)O)C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(C/C(=C/CCCCCN=C(N)N)/C)C
Compound: (Dha7)microcystin-LR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: Sporothrin C
SMILES: O=C1C2=C(OC3=C4C5=C(C(O)=CC(C5=C(C(C(C1)C)C4C)C6=C(O)C=CC=C6O)=O)C(=C3)O)C=CC=C2O
Compound: 21-hydroxyterpestacin
SMILES: O=C1C(O)=C([C@@H](CO)C)[C@@H]2[C@@]1(CC=C(CCC=C(CO)CC[C@@H](C(=CC2)C)O)C)C
Compound: Trienomycin K
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)CCC)C)C
Compound: Alternaterpenoid B
SMILES: O=C1C=C([C@H]2[C@@]3([C@]1(CCCC3(C)C)C)C2)CO
Compound: 3,3'-dihydroxyisorenieratene
SMILES: OC1=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=C2C)C)C)\C)\C)/C)/C)C(=C1)C)C)C
Compound: Cyclo-(Ile-Ser)
SMILES: O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)CO
Compound: 5-N-Methyloxaluric acid
SMILES: CNC(=O)NC(=O)C(O)=O
Compound: Sch 38516
SMILES: O=C1NCCC[C@H]([C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H]([C@H]2O)N)C)CC[C@H](CCC[C@H]1CC)C)CC
Compound: Solanapyrone M
SMILES: O=C1OC(=CC(=C1C=O)OC)[C@]2([C@H]3[C@@H](C=C[C@@H]2C)CCC[C@@H]3C)C
Compound: Trienomycin L
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](OC(=O)[C@H](NC(=O)CC(C)C)C)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)O)C
Compound: Scalbucillin C
SMILES: O=C(OC)C1=C(OC)C=C(O)C(=C1)C(=O)CC/C=C/C
Compound: (S)-1-(3-ethylphenyl)-1,2-ethanediol
SMILES: O[C@@H](C1=CC(=CC=C1)CC)CO
Compound: TLN-05223
SMILES: O=C1N(C(=CC2=C1C(=O)C=3C4=C(O)C5=C(O)C6=C(C(=O)C=CC6=O)C(=C5C(=C4C=CC3C2=O)OC)O)C(CC)C)CC(=O)N7C(C(=O)NC(C7)C(=O)OC)C
Compound: Pyrrolosporin A
SMILES: ClC=1NC(C(=O)N[C@H]2[C@H](O)C[C@H](O[C@@H]3[C@H]4C=C[C@H]5CC=CCC=C[C@@]6([C@]7(C(C(=C([C@]5([C@@H]4CC[C@@H]3C)CC)O)C(=O)O7)=O)C[C@H](CC)C(=C6)C(=O)O)C)O[C@@H]2C)=C(C1)Cl
Compound: Soboliferamide
SMILES: O=C1NC(C(=O)N2C1(O)CCC2)C(O)C
Compound: Thuggacin B
SMILES: S1C2=NC(=C1)C=C(C(=O)O[C@@H]([C@H](O)CC=CC=C[C@@H](C[C@H]([C@@H]2C)O)O)[C@@H](O)C(C(O)/C(=C/C(=C/C)/C)/C)C)CCCCCC
Compound: Aturanoside A
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C(=CC(=C3)O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5NC(=O)C)O)CO)O)C)CCC
Compound: Streptothiazomycin A
SMILES: S1[C@@H](N(C)[C@@H](C1)CNC(=O)C)[C@@H](NC(=O)C2=C(OC)C=CC=C2)CO
Compound: Diorcinol J
SMILES: O(C1=C(C(=CC(=C1)O)C)C[C@H](O)C(=C)C)C2=CC(O)=CC(=C2)C
Compound: 6-hydroxy-5-methoxy-3-methyl-3, 6-dihydro-2H-pyran-4-carboxylic acid
SMILES: O=C(O)C1=C(OC)[C@@H](OC[C@H]1C)O
Compound: 1-[2-methoxy-4-(3-methoxy-5-methylphenoxy)-6-methylphenyl]-ethanone
SMILES: O=C(C1=C(OC)C=C(OC2=CC(OC)=CC(=C2)C)C=C1C)C
Compound: Decarboxyperlatolic acid
SMILES: O=C(OC1=CC(O)=CC(=C1)CCCCC)C2=C(O)C=C(OC)C=C2CCCCC
Compound: Aturanoside B
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C(=CC(=C3)O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)CCC
Compound: Streptodiketopiperazine A
SMILES: O=C1N([C@H](C(=O)NC1=C)CC2=CC=CC=C2)C
Compound: gamma-L-glutaminyl-4-hydroxybenzene
SMILES: O=C(O)[C@@H](N)CCC(=O)NC1=CC=C(O)C=C1
Compound: 1-[4-(3-(hydroxymethyl)-5-methoxyphenoxy)-2-methoxy-6-methylphenyl]-ethanone
SMILES: O=C(C1=C(OC)C=C(OC2=CC(OC)=CC(=C2)CO)C=C1C)C
Compound: Thermolide F
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@@H]1C)=O)O)C)C)[C@H](C[C@@H]([C@H](OC(=O)C)[C@@H](C[C@@H]([C@H](O)[C@@H]([C@H](O)C)C)C)C)C)C
Compound: Spirofungin B
SMILES: O=C(O)/C=C(/C=C/[C@H]1O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/C(O)C(/C=C/C(=O)O)C)\C)CC[C@H]1C)\C
Compound: Streptodiketopiperazine B
SMILES: O=C1N([C@@H](C(=O)NC1=C)CC2=CC=CC=C2)C
Compound: Aturanocin
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C(=C(C(=O)O)C(=C3)O)CCC
Compound: Gliocladinin B
SMILES: O1[C@@H](OC2=C(O)C(=C(O)C=C2C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Sterostrein V
SMILES: O=C1C=2C(=C(CO)OC2)[C@](O)(C)[C@@H]3C1=CC(C)(C)C3
Compound: Arylomycin A4
SMILES: O=C1N[C@H](C(=O)NC(C(=O)O)CC=2C=CC(=C(C=3C=C(C1N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCCC(CC)C)C)CO)C)C)C=CC3O)C2)O)C
Compound: Albucidin
SMILES: O1C(N2C3=NC=NC(=C3N=C2)N)CC1CO
Compound: Alterporriol Z3
SMILES: O=C1C2=C(C(O)=C(C)C=C2C(=O)C=3C1=C(O)C=C(O)C3)C4=C5C(=O)C6=C([C@@H](OC)[C@@H](O)[C@]([C@H]6O)(O)C)C(C5=C(O)C=C4OC)=O
Compound: Floricolin T
SMILES: O(C1=C(O)C(C2=CC=C(OC)C=C2)=CC(=C1C3=CC=CC=C3)OC)C
Compound: Orirubenone C
SMILES: O=C1O[C@](CCC=C1C)(CC(=O)C2=C(O)C=C(O)C(=C2)O)C
Compound: (2R)-N-{(1S,2R,3E,7E)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyheneicosanamide
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCCCCC
Compound: 2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde
SMILES: O=C(C(=C)C)CC=1C=C(OC)C2=CC=C(C(=C2C1)C=O)CO
Compound: Oscillapeptin D
SMILES: S(=O)(=O)(OC[C@@H](OC)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)C[C@H]4C=C[C@H](O)CC4)CCC5=CC=C(O)C=C5)O
Compound: Floricolin U
SMILES: O(C1=C(OC)C(C2=CC=C(OC)C=C2)=CC(=C1C3=C(O)C=CC=C3)OC)C
Compound: Tricycloalterfurene E
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)/C=C(/CCC[C@@H](C(=O)O)C)\C)C)[C@H](O)CC1
Compound: 3,4-dibromopyrrole-2,5-dione
SMILES: BrC=1C(=O)NC(C1Br)=O
Compound: Dermacozine A
SMILES: O=C(N)C1=C2N(C3=C(C(C(=O)N)=CC=C3)NC2=CC=C1)C
Compound: Colletopiperazine
SMILES: S([C@]1(N(C(=O)C2CC=3C(N2C1=O)=C(O)C=CC3)C)CO)C
Compound: 5-methoxy-2-methyl-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde
SMILES: O=C(C(=C)C)CC=1C=C(OC)C2=CC=C(C(=C2C1)C=O)C
Compound: Floricolin K
SMILES: O1C2=C(O)C(C3=CC=CC=C3)=CC(=C2C4=C1C=CC(=C4)O)OC
Compound: Tricycloalterfurene G
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)C=C(CCC[C@@H](C(=O)OC)C)C)C)[C@H](O)CC1
Compound: Hypsiziprenol-B9
SMILES: OC(C=C)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)\C)\C)C
Compound: Paecilomycone A
SMILES: O=C1C2=C(O)C(O)=C(O)C=3C2=C(C(OC)=CC3O)C(=C1)C
Compound: S-15183a
SMILES: O=C1C=2C(=CC([C@@]1(OC(=O)CCCCCCC)C)=O)C=C(CCCCCCC)OC2
Compound: Floricolin L
SMILES: O1C2=C(O)C(C3=CC=C(O)C=C3)=CC(=C2C4=C1C=CC(=C4)O)OC
Compound: Tricycloalterfurene F
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)C=C(CCCC(C(=O)O)C)C)C)CC[C@H]1O
Compound: 4-(3-methoxy-5-methylphenoxy)-2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
SMILES: O(C1=CC(=C(O)C(=C1)CCO)CO)C2=CC(OC)=CC(=C2)C
Compound: Emericellene B
SMILES: O=C(O)[C@@]1([C@@H]2[C@@]3(OC3)CC[C@@H]1CC=C(CCC=C(CC2)C)C)CCC=C(C)C
Compound: Ustusorane C
SMILES: O=C1C(OC2=C1C=CC3=C2[C@H](O[C@@H](C3)C)OC)=C(C)C
Compound: Rubralide C
SMILES: O=C1O[C@@H](OC)C2=C1C=C(O)C(=C2O)C
Compound: Floricolin M
SMILES: O1C2=C(O)C(C3=CC=C(O)C=C3)=CC(=C2C4=C1C=CC=C4)OC
Compound: Alterporriol Z2
SMILES: O=C1C2=C(OC)C(C3=C(OC)C=4C(=O)C5=C([C@H](O)[C@@H](O)[C@]([C@H]5O)(O)C)C(C4C(=C3)O)=O)=CC(=C2C(=O)C6=C1C=C(C)C(=C6)O)O
Compound: 4-(3-hydroxy-5-methylphenoxy)-2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
SMILES: O(C1=CC(=C(O)C(=C1)CCO)CO)C2=CC(O)=CC(=C2)C
Compound: Neosartoryadin A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(=O)C(C)(C)[C@@]4([C@H]2C[C@@]5(C6=C(C=CC=C6)N7[C@H]5NC(C)(C)C7=O)O4)O
Compound: Dihydrofuscin
SMILES: O=C1O[C@H](C=2C(O)=C(O)C3=C(C2C1)CCC(O3)(C)C)C
Compound: Spiromastol A
SMILES: ClC1=C(O)C(Cl)=C(CCC)C=C1OC2=C(O)C=C(O)C(=C2CCC)Cl
Compound: Floricolin N
SMILES: O1C2=C(O)C(C3=CC=C(O)C=C3)=CC(=C2C4=C1C=C(O)C=C4)OC
Compound: 5-epi-fulvoferruginin
SMILES: O=C1O[C@@H]2C=C(C=C[C@@]3([C@@H]2[C@](C1=C)(O)CC3)C)C
Compound: Spiroindicumide A
SMILES: O=C1C(=C(C[C@]2([C@@]1(CC=C(C)C)C)OC(=O)[C@@H](C2)O)CC(=O)C)C
Compound: Phomadecalin D
SMILES: O1[C@@]2(C(=C)CO)[C@H](O)C=C3[C@]([C@@H]12)([C@H]([C@H](O)C=C3)C)C
Compound: Ncp-E1
SMILES: O=C1N2C(C(=O)NC(C=NC(C(=O)NCC(NC(C(NC(C(NC1CO)=O)C(CC)C)=O)CCC(=O)N)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)CCC2
Compound: Lyngbyastatin 4
SMILES: S(=O)(=O)(OC[C@@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N/C(/C(=O)N[C@@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)C(C)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](O)CC2)=C\C)CCC5=CC=C(O)C=C5)C)O
Compound: Floricolin O
SMILES: O=C1C(OC)=C(C(=O)C=C1C2=CC=CC=C2)C3=CC=C(OC)C=C3
Compound: Fulvoferruginin
SMILES: O=C1O[C@H]2C=C(C=C[C@@]3([C@@H]2[C@](C1=C)(O)CC3)C)C
Compound: Agripilol D
SMILES: OC(C(O)CC(O)/C(=C/CC/C(=C\CO)/C)/C)(C)C
Compound: Hibarimicin A
SMILES: O=C1C(OC)=C(C(=O)C=2C1=C(O)C3=C(C(=O)C4(O)C5C3OC4(C(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H](C(O)(C(=O)C)CC7)C)CC6)C)C(C5OC8O[C@H]([C@H](O)[C@@H](C8)O)C)O)CCC)C2O)C=9C(OC)=C(OC)C%10=CC=%11CC%12C(O[C@@H]%13O[C@H]([C@H](O)[C@@H](C%13)O)C)C(O)C(C(C%12(C(C%11C(=C%10C9O)O)=O)O)(O)CCC)O[C@@H]%14O[C@@H]([C@@H](O[C@H]%15O[C@@H]([C@@](O)(C(=O)C)CC%15)C)CC%14)C
Compound: Ncp-E2
SMILES: O=C1N2C(C(=O)NC(C=NC(C(=O)NCC(NC(C(NC(C(NC1CO)=O)C(CC)C)=O)CCC(=O)N)=O)CC3=CC=C(O)C=C3)CC(C)C)CCC2
Compound: Echinotinctone
SMILES: O=C1C(O)=C(C2=CC=3C(=CC(=CC3OC2=C1)O)C)C
Compound: Floricolin P
SMILES: O=C1C(OC)=C(C(=O)C=C1C2=CC=C(O)C=C2)C3=C(O)C=CC=C3
Compound: Chaetoglobinol B
SMILES: O=C1C(=C(O)C(=O)[C@](C1=O)(O)C=2C3=C(C=C(CC=C(C)C)C=C3)NC2)C=4C5=C(C=CC(=C5)CC=C(C)C)NC4
Compound: Rubetaujaponol A
SMILES: O=C1[C@@H]([C@@]2(O)[C@@](CC2)(C)[C@@]3([C@H]1C[C@@](CO)(C)C3)O)C
Compound: Ncp-E1-L
SMILES: O=C(NC(C=O)CC1=CC=CC=C1)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CC3=CC=C(O)C=C3)CCC(=O)N)C(CC)C)CO)CCC2
Compound: Secolongifolene
SMILES: OCC1=CC2C(CCCC1([C@H]2CCO)C)(C)C
Compound: Colletomellein B
SMILES: O=C1O[C@H](CC=2C1=C(O)C(=C(O)C2C)C)CCCC(O)C
Compound: Floricolin Q
SMILES: O=C1C=2C3=C(C=CC(=C3)O)OC2[C@@H](O)[C@](C1)(O)C4=CC=CC=C4
Compound: G2201-C
SMILES: O=C1C=CC(C1(O)CO)=O
Compound: Stachartarin B
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)C7)CO)OC
Compound: Ncp-E2-L
SMILES: O=C(NC(C=O)CC(C)C)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CC2=CC=C(O)C=C2)CCC(=O)N)C(CC)C)CO)CCC1
Compound: Terrestrol L
SMILES: ClC=1C(=O)[C@H]([C@@H](O)[C@H](C1)O)C
Compound: Labradorin 2
SMILES: O1C(C=2C3=C(C=CC=C3)NC2)=CN=C1CCCCC
Compound: Floricolin R
SMILES: O(C1=C(OC)C(C2=CC=CC=C2)=CC(=C1C3=CC=C(OC)C=C3)O)C
Compound: Aspergillipeptide C
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@@H](C(NC[C@@H]1C)=O)C)CC(C)C)C
Compound: Tumonoic acid I
SMILES: O=C(O[C@@H](C(=O)O[C@H](C(=O)O)[C@H](CC)C)[C@H](CC)C)[C@H]1N(C(=O)C(CC(CCCC)C)C)CCC1
Compound: 15-hydroxy-4beta,5-dihydrogen-alpha-cadinol
SMILES: O[C@]1([C@H]2[C@H]([C@H](C(C)C)CC1)C[C@H](CO)CC2)C
Compound: Aspochalasin D
SMILES: O=C1C=C[C@H](O)[C@@H](O)CCC(=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](C)C(=C2)C)CC(C)C)C
Compound: Ncp-E3
SMILES: O=C1N2C(C(=O)NC(C=NC(C(=O)NCC(NC(C(NC(C(NC1CO)=O)C(C)C)=O)CCC(=O)N)=O)CC3=CC=C(O)C=C3)CC(C)C)CC(C2)C
Compound: Floricolin S
SMILES: O(C1=C(OC)C(C2=CC=CC=C2)=CC(=C1C3=CC=C(OC)C=C3)OC)C
Compound: 2beta-Methoxy-3a,9a-dihydroxyergosta-7,22
SMILES: O([C@@H]1[C@@H](O)CC2CC=C3[C@]([C@]2(C1)C)(O)CC[C@]4(C3CC[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C
Compound: (2E,4E)-2-methyl-hexa-2,4-dienoic acid (2'S,3'S)-isoleucinol amide
SMILES: O=C(N[C@@H]([C@H](CC)C)CO)/C(=C/C=C/C)/C
Compound: Neglectine A
SMILES: O=C([C@@H]1[C@@H]2[C@@H](O[C@H]([C@H]2C)C)OC1)[C@@H](CC)C
Compound: 12-Carbamoylstreptothricin D
SMILES: O=C1NC[C@@H](O)[C@@H]2[C@@H]1N=C(NC3OC(C(O)C(C3NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)O)COC(=O)N)N2
Compound: Ncp-E4-L
SMILES: O=C(O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CC2=CC=C(O)C=C2)CCC(=O)N)C(CC)C)CO)CCC1C
Compound: 3-hydroxy-1,4-diphenyl-7-oxabicyclo<4.1.0>hept-3-ene-2,5-dione
SMILES: O=C1C(O)=C(C2=CC=CC=C2)C(=O)C3C1(O3)C4=CC=CC=C4
Compound: Hexaricin D
SMILES: O=C1OC(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C(C)C)CC3C2)OC)=O)C
Compound: N2-(1-Methoxycarbonylethyl)guanosine
SMILES: O=C1NC(=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)NC(C(=O)OC)C
Compound: 3beta,7beta,15alpha,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oic acid
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C(O)C(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Ruberpyrrole
SMILES: O=C(OC)C=1NC=C(C1CC(=O)OC)CCC(=O)O
Compound: Dibromoalterochromide D
SMILES: BrC1=C(O)C(Br)=CC(=C1)/C=C/C=C/C=C/C=C/C(=O)N[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(O[C@@H]2C)=O)[C@H](CC)C)=O)CC(=O)N)CC(=O)N)[C@H](CC)C
Compound: 6-Methoxy-8<6'-hydroxy-2'-methoxy-4'(3''-methyl-2''-butenyl)phenoxy>2,2-dimethylchromene
SMILES: O1C2=C(OC3=C(OC)C=C(CC=C(C)C)C=C3O)C=C(OC)C=C2C=CC1(C)C
Compound: Hexaricin E
SMILES: O=C1OC(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)CC)CC3C2)OC)=O)C
Compound: D-idarate(2-)
SMILES: [H][C@@](O)(C([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C([O-])=O
Compound: Pestalotether A
SMILES: ClC1=C(O)C(OC2=C(C(O)=CC(=C2)C)C(=O)OC)=C(C(=O)OC)C=C1OC
Compound: Okaramine I
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(O)C[C@@H]2C(=O)N5C1=CC=6C7=C(C=CC=C7)NC6C(C=C5)(C)C
Compound: Dibromoalterochromide D'
SMILES: BrC1=C(O)C(Br)=CC(=C1)/C=C/C=C/C=C/C=C/C(=O)N[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(O[C@@H]2C)=O)CC(C)C)=O)CC(=O)N)CC(=O)N)[C@H](CC)C
Compound: Asperchalasin A
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(O)[C@@H](/C=C/C[C@@H]([C@H](O)[C@@H](O)C)C)[C@H](OC)C(C)=C3C
Compound: Feigrisolide A
SMILES: O=C1O[C@@H](CC[C@@H]([C@H]1C)O)C[C@@H](O)C
Compound: Hexaricin F
SMILES: O=C1O[C@](O)(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4CCC3C2)OC)=O)C
Compound: Epoxyquinomicin C
SMILES: O=C1C=C(NC(=O)C2=C(O)C=CC=C2)[C@H](O)[C@@H]3[C@]1(O3)CO
Compound: 3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
SMILES: ClC1=C(O)C(Cl)=CC(=C1)CCC(=O)O
Compound: 7-but-15-enyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-one
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(=C(O)C2)C/C=C/C)CC/C=C/C
Compound: Asperchalasin B
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(O)[C@H](C=C(C)C3=C)C=CC[C@@H]([C@H](O)[C@@H](O)C)C
Compound: D-idaric acid
SMILES: [H][C@@](O)(C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C(O)=O
Compound: Hexaricin G
SMILES: O=C1O[C@](OC)(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4CCC3C2)OC)=O)C
Compound: Asperchalasin C
SMILES: O=C1C(=C2C(=O)N[C@H]([C@@H]2[C@@H]([C@H]1C)C)CC3=CC=CC=C3)C=CC[C@@H]([C@H](O)[C@@H](O)C)C
Compound: Kailuin F
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@@H](CO)C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)[C@H](O)C)=O)CC(C)C)C/C=C\CCCCCC
Compound: 3-hydroxy-4-(4-hydroxyphenyl)-5-methoxycarbonyl-5-(4-hydroxy-3-formylbenzyl)-2,5-dihydro-2-furanone
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C=O)C(=C1O)C3=CC=C(O)C=C3
Compound: Secobotrydiene-3,10,15-triol
SMILES: OC/C(/C1=C(C(C)(C)C[C@@]1(CO)C)CCO)=C/C
Compound: 3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid methyl ester
SMILES: ClC1=C(O)C(Cl)=CC(=C1)CCC(=O)OC
Compound: Hexaricin H
SMILES: O=C1C2=C(OC)C3=C(C4=C(O)C(=C(CC(=O)C)C=C4C[C@H]3O)C(=O)O)C(=C2C(=O)C=5C1=C(O)C=CC5)O
Compound: Asperchalasin D
SMILES: O=C1C(=C2C(=O)N[C@H]([C@@H]2[C@@H]([C@H]1C)C)CC3=CC=CC=C3)C=CC[C@@H](C(=O)[C@](O)(CC(OC)OC)C)C
Compound: Micropeptin SD944
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)[C@H](CC)C)C2=O)O)CCCCN)C
Compound: Auxarthonoside
SMILES: O=C(N[C@H]1[C@H](O[C@H](COC)[C@H]([C@@H]1O)O)O[C@]2([C@@H](O[C@H](C(O)(C)C)CC2)C/C(=C/CC/C=C(/CCCC3O[C@H](C(O)(C)C)CC[C@]3(OC4O[C@@H]([C@@H](O)[C@@H]([C@H]4NC(=O)C)O)COC)C)\C)/C)C)C
Compound: 3-(3-Chloro-4-hydroxyphenyl)propionic acid
SMILES: ClC1=C(O)C=CC(=C1)CCC(=O)O
Compound: Boletocrocin C
SMILES: O=C(N[C@H](C(=O)O)[C@H](CC)C)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CC(=O)O
Compound: Asperchalasin E
SMILES: O=C1C(=C2C(=O)N[C@H]([C@@H]2[C@@H]([C@H]1C)C)CC3=CC=CC=C3)C=CC[C@@H]([C@@H]4OC(=O)C=C4C)C
Compound: Hexaricin A
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](O)CC3C2)OC)=O)C
Compound: Pleurocybellaziridin
SMILES: O=C(O)[C@H]1NC1(C)C
Compound: 5-N-acetyl-15bbeta-hydroxyardeemin
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(O)N([C@@H]5N(C=6C=CC=CC6[C@@]5(C4)C(C=C)(C)C)C(=O)C)C([C@H]2C)=O
Compound: Polonimide A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)/C(/NC([C@@H]2CCC(=O)OC)=O)=C/C(C)C
Compound: FS-4
SMILES: O=C1C=C(CO)[C@](C1)([C@@]2(C=C[C@](O)(C)CC2)C)C
Compound: Asperchalasin F
SMILES: O=C1C(=C2C(=O)N[C@H]([C@@H]2[C@@H]([C@H]1C)C)CC3=CC=CC=C3)C=CC[C@@H]([C@H]4OC(=O)C=C4C)C
Compound: Cis-cyclo-(His,Leu)
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2NC=NC2)CC(C)C
Compound: Hexaricin C
SMILES: O=C1O[C@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4CCC3C2)OC)=O)C
Compound: Polonimide B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)/C(/NC([C@@H]2CCC(=O)N)=O)=C\C(C)C
Compound: Cyclo-(L-Val-L-Leu)
SMILES: O=C1N[C@H](C(=O)N[C@@H]1C(C)C)CC(C)C
Compound: Apicidin D3
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1C(CC)C)=O)CC=3C4=C(C=CC=C4)N(C3)OC)CCCCCCC(O)C)CCCC2
Compound: Moniliferanone C
SMILES: O=C(C1=C(O)C=C(O)C=C1O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: Asperlactone G
SMILES: O=C1O[C@](C(=O)OC)(CC2=C(C=C(O)C(=C2)CC=C(C)C)CC=C(C)C)C(=C1OC)C3=CC=C(O)C=C3
Compound: Calothrixamide A
SMILES: O=C(O[C@@H]([C@H](CCCCC=C)C)CCCCCCCC[C@H](/C=C\C=C(\C(=O)N[C@H](CO)C)/C)C)N
Compound: Polonimide C
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](NC([C@@H]2CCC(=O)N)=O)CC(C)C
Compound: Micromonospolide A
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@H](/C=C/C=C/C)[C@@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)O)C)C
Compound: Curvulone A
SMILES: O=C1O[C@@H](CCC(=O)CC2C(C3=C(C1)C=C(O)C=C3O2)=O)C
Compound: Cohaerin K
SMILES: O=C1C=C2C(=COC(=C2)C3=C(O)C=CC=C3C)[C@@H]([C@]1(O)C)CC(=O)[C@H](CCCCCC)C
Compound: Restricticin B
SMILES: O=C1OC(=CC(=C1C=NCC(=O)O[C@H]2[C@@H](OC[C@@H]([C@@H]2OC)C)/C(=C/C=C/C=C/CCC)/C)O)C
Compound: Asperlactone H
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(OCC=C(C)C)C=C2)CC=C(C)C)C(=C1OC)C3=CC=C(O)C=C3
Compound: Calothrixamide B
SMILES: O=C(O[C@@H]([C@H](CCCCCC)C)CCCCCCCC[C@H](/C=C\C=C(\C(=O)N[C@H](CO)C)/C)C)N
Compound: 2-bromorugulovasine B
SMILES: BrC=1NC=2C=CC=C3C2C1C[C@H](NC)[C@@]34OC(=O)C(=C4)C
Compound: Kettapeptin
SMILES: O=C1O[C@H]([C@H](NC(=O)C(O)([C@@]2(O[C@H](/C(=C/[C@@H](C(=O)/C(=C/C)/C)C)/C)[C@@H](C)CC2)O)CC)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](COC)C(N([C@@H](C(N4[C@@H](C(N[C@@H]1[C@@H](O)C)=O)CCCN4)=O)C)C)=O)C(C)C
Compound: 3-((6-(((3,5-dihydroxy-6-(hydroxymethyl)-4-(palmitoyloxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(palmitoyloxy)propyl oleate
SMILES: O=C(OC1C(O)C(OC(C1O)CO)OCC2OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(O)C(C2O)O)CCCCCCCCCCCCCCC
Compound: Aeruginosamide 571
SMILES: S1C(=NC(=C1)C(=O)OC)C2N(C(=O)C3N(C(=O)C(NC(=O)C(N)CC4=CC=C(O)C=C4)C(C)C)CCC3)CCC2
Compound: Paralactonic acid A
SMILES: O=C1O[C@@H](/C=C/C=C/C)[C@@H](C)C=C1CCC(=O)O
Compound: Benzastatin A
SMILES: O=C(N)C1=CC(=C(N)C=C1)C/C=C(\COC)/CCC(=C(C)C)C
Compound: Catenulobactin A
SMILES: O=C1N(O[C@H]([C@@H]1NC(=O)C2=C(O)C=CC=C2)C)CCC[C@@H](NC(=O)[C@H]3N=C(C4=C(O)C=CC=C4)O[C@@H]3C)C(=O)O
Compound: TMC-95 B
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N/C=C\C)[C@H](O)[C@]2(O)C(=O)NC3=C(C=4C=C(C[C@@H]1NC(=O)C(=O)[C@@H](CC)C)C=CC4O)C=CC=C23)CC(=O)N
Compound: Hirsutanol C
SMILES: O=C1C=C2C=C3[C@@H](O)C(C[C@]3([C@@]2([C@H]1C)C)O)(C)C
Compound: Aeruginosamide 639
SMILES: S1C(=NC(=C1)C(=O)OC)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(C=C)(C)C)CC4=CC=C(O)C=C4)C(C)C)CCC3)CCC2
Compound: Paralactonic acid B
SMILES: O=C1O[C@@H](/C=C/C=C/C)[C@@](O)(C)C=C1CCC(=O)O
Compound: Catenulobactin B
SMILES: O=C(N(O)CCC[C@@H](NC(=O)[C@H]1N=C(C2=C(O)C=CC=C2)O[C@@H]1C)C(=O)O)[C@H]3N=C(C4=C(O)C=CC=C4)O[C@@H]3C
Compound: Speradine C
SMILES: O=C1N2[C@@]3(O[C@@]([C@@H]1O)(O)C)C(=O)O[C@]45[C@H]3[C@H](C2(C)C)CC=6C=CC=C(C46)N(C5=O)C
Compound: Striatin C
SMILES: O=C1[C@@]2(O)[C@@H](OC[C@H]1O)O[C@H]3[C@H]2C(=C[C@H](O)[C@H]4[C@]3(CC[C@@]5(C4=C(C(C)C)CC5)C)C)C=O
Compound: Xylapyrone B
SMILES: O=C1OC(=CC(=C1)OC)C(O)CCCCC(O)C
Compound: Aeruginosamide 671
SMILES: S1C(=NC(=C1)C(=O)OC)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(C=C)(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)CCC3)CCC2
Compound: Microcyclamide 7806B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(C(N[C@@H]2[C@H](CC)C)=O)=CO3)C(C)C)[C@H](O)C)C
Compound: Paralactonic acid C
SMILES: O=C1O[C@@H](/C=C/C=C/C(=O)O)[C@@H](C)C=C1CCC(=O)O
Compound: Strepoxepinmycin A
SMILES: O=C1OC2=C([C@H](O[C@H]3[C@@H]2OC(=O)C3)C)C(C4=C1C=CC(=C4O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)N(C)C)C)=O
Compound: Sphaeric acid
SMILES: O=C(O)[C@H]([C@@H](C(=O)O)C)CCCCCCCC
Compound: AJI9561
SMILES: O=C(O)C1=C2N=C(C3=C4N=C(C5=C(O)C=CC=C5C)OC4=CC=C3)OC2=CC=C1
Compound: Aeruginosamide 625
SMILES: S1C(=NC(=C1)C(=O)O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(C=C)(C)C)CC4=CC=C(O)C=C4)C(C)C)CCC3)CCC2
Compound: Strepoxepinmycin B
SMILES: O=C1OC2=C([C@H](O[C@@H]([C@@H]2O)CC(=O)OC)C)C(C3=C1C=CC(=C3O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C)=O
Compound: Penicillenol C2
SMILES: O=C/1N([C@H](C(O)C)C(\C1=C(\O)/C(CCC/C=C/C)C)=O)C
Compound: Versicotide B
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)NC=2C=CC=CC2C(N[C@H](C(NC3=C1C=CC=C3)=O)C)=O)C)C)C)C
Compound: Paralactonic acid D
SMILES: O=C1O[C@H]([C@@H](C)C=C1CCC(=O)O)CCC(=O)O
Compound: 10-methyl-9Z-octadecenoic acid
SMILES: O=C(O)CCCCCCC/C=C(\CCCCCCCC)/C
Compound: Aeruginosamide 693
SMILES: S1C(=NC(=C1)C(=O)O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(N(C(C=C)(C)C)C(C)(C)C)CC4=CC=C(O)C=C4)C(C)C)CCC3)CCC2
Compound: Strepoxepinmycin C
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)[C@]3([C@@]1(O)[C@H](O[C@@H](C3)CC(=O)OC)C)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C
Compound: Dehydrobotrydienal
SMILES: O=CC1=C(C=CC2=C1[C@@](C=O)(CC2(C)C)C)C
Compound: Paralactonic acid E
SMILES: O=C1O[C@@H](/C=C/C=C/C)[C@@H](C)C2=C1C=C(C(=O)O)C=C2C3=CC=CC=C3
Compound: Rhytidone C
SMILES: O=C1[C@@H]2[C@H](C3(OC=4C=5C(C=CC4)=CC=CC5O3)CC[C@@H]2O)[C@H](O)[C@H](C1)OC
Compound: [L-MeLan7]-Microcystin-LR
SMILES: S(C[C@@H]1N(C(=O)CC[C@@H](NC(=O)[C@H](C(NC(=O)[C@H](CCCN=C(N)N)NC([C@H](C(NC([C@@H](NC([C@H](NC1=O)C)=O)CC(C)C)=O)C(=O)O)C)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)C(=O)O)C)C[C@H](N)C(=O)O
Compound: Strepoxepinmycin D
SMILES: O=C1C=2C(C(=O)C=3C1=C(O)C(=CC3)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C)=C[C@@H](CC(=O)OC)OC2C
Compound: Cochlearol K
SMILES: O=C1C2=C(O[C@@](C1)(C(=O)O)CCC=C(C)C)C=CC(=C2)O
Compound: Iododithiobrevamide
SMILES: I[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@@]34SSC(C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)NC4=O
Compound: Marinobactin-D1
SMILES: O=C1NCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CO)NC([C@@H]([C@H]1O)NC(=O)CCCCCCC/C=C\CCCCCC)=O
Compound: (6R,3Z)-3-benzylidene-6-isobutyl-1-methylpiperazine-2,5-dione
SMILES: O=C/1N([C@@H](C(=O)N\C1=C/C2=CC=CC=C2)CC(C)C)C
Compound: Ibomycin
SMILES: O=C1OC([C@H](C=CC=C[C@@H](O)C[C@H](O)C[C@@H](O)CC(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2NC(=O)C)O)CO)[C@@H](C)C3OC(C([C@@H](CC[C@@H](C[C@@H](CC=CC=C1)O)O)C)O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@@H]6O)O)C)(O)C(O)C(O)C3)C)[C@H]([C@@H](O)[C@@H]([C@@H](O)[C@H](C(O[C@@H]7O[C@@H]([C@H](O[C@@H]8O[C@@H]([C@H](O[C@@H]9O[C@H]([C@@H](O)[C@](C9)(N)C)C)CC8)C)CC7)C)CC)C)C)C
Compound: Asperflocin
SMILES: O=C1N2[C@H]3NC=4C=CC=CC4C3([C@@]56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@H](CC9=CC=CC=C9)NC([C@H]8C6)=O)C[C@H]2C(=O)N[C@H]1CC%10=CC=CC=C%10
Compound: Cochlearol L
SMILES: O=C1O[C@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(\CO)/C
Compound: Oidioperazine D
SMILES: O=C1N(OC)[C@@](OC)(C(=O)NC1=C)CC=2C3=C(C=CC=C3)NC2
Compound: Pyrrolizixenamide D
SMILES: O=C1C=C(NC(=O)CCCC(C)C)N2[C@H]1CCC2
Compound: WAP-8294A4
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N(C(C(=O)NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(N(C1C(C)C)C)=O)CCCN)=O)CC=2C3=C(C=CC=C3)NC2)=O)CC(=O)N)=O)CCC(=O)O)=O)CCCN)=O)CC(C)C)CC4=CC=CC=C4)C)CO)C(O)C(=O)N)CO)CCCCC(C)C
Compound: D-mannaric acid
SMILES: O[C@@H]([C@H](O)[C@H](O)C(O)=O)[C@H](O)C(O)=O
Compound: Linearmycin C
SMILES: O=C(O)/C(=C/C=C/C=C/C=C/C=C/CC/C=C/C(C(O)C(C(O)/C=C/C=C/C=C/C=C/C=C/CC(O)C(C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)/C=C/CC(O)CC(O)CCCCN)C)C)C)/C
Compound: 7_O_methylpenicitor A
SMILES: O=C1O[C@H](CC=2C1=C(O)C3=C(OC)C=C(OC)C=C3C2)CCC
Compound: Elfvingic acid G
SMILES: O=C1C=C2[C@@](O)(C(=O)CC3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1(C(=C[C@H]4O)C(O)(CC(=O)CC(C(=O)O)C)C)C)C
Compound: Cochlearol M
SMILES: O=C(O)/C(=C\C/C=C(/CC[C@H](O)C(=C)C)\C)/CC(=O)C1=C(O)C=CC(=C1)O
Compound: 44-Homooligomycin B
SMILES: O=C1OC2C(C3(OC(C2C)CCC(C=CC=CCC(C)C(C(C(C(C(C(C(C(C(C(C=C1)C)O)C)=O)C)O)C)=O)(O)C)O)CC)OC(C(C)CC3=O)CC(O)C)CC
Compound: (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H](/C=C(/C=2O[C@@H](C(C)=CC2)CC)\C)C
Compound: Metatricycloene
SMILES: O=C(O)/C=C/C=C/C=C/C1OC2C=CC3C2C1C(C=C3)/C=C/C=C/C(=O)N
Compound: 7-oxo-holyrin A
SMILES: O=C1NC(=O)C2=C1C3=C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)N)C)C5=C3C=CC=C5)C6=C2C7=C(C=CC=C7)N6
Compound: Lyngbyapeptin B
SMILES: S1C(=NC=C1)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)/C=C(/OC)\C)C)CC2=CC=C(OC)C=C2)C)C(C)C)C)CC3=CC=C(OC)C=C3)C
Compound: Violapyrone E
SMILES: O=C1OC(=CC(=C1C)O)CCCCC([C@@H](O)C)C
Compound: Cochlearol E
SMILES: O=C(O)/C(=C/C=C/[C@]1(O[C@@H](C(O)(C)C)CC1)C)/CC(=O)C2=C(O)C=CC(=C2)O
Compound: Pyoverdin 3/8/2 ATCC 13525
SMILES: O=C1NC(C(=O)NC(C(=O)NCCCCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2[N+]3=C(NCC2)C(NC(=O)CCC(=O)N)=CC=4C3=CC(O)=C(C4)O)CO)CCCCN)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Deimino-antipain
SMILES: O=C(N[C@H](C(=O)O)CC1=CC=CC=C1)N[C@H](C(=O)N[C@H](C(=O)NC(C=O)CCCN=C(N)N)C(C)C)CCCNC(=O)N
Compound: 4'-N-formyl-7-oxo-holyrin A
SMILES: O=C1NC(=O)C2=C1C3=C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)NC=O)C)C5=C3C=CC=C5)C6=C2C7=C(C=CC=C7)N6
Compound: 6-((2S,4R)-2,4,11-trihydroxyundecyl)-4-hydroxy-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](O)C[C@H](O)CCCCCCCO
Compound: Neolymphostin B
SMILES: O=C(C=1NC=2C(NC(=O)CC)=CC(=N)C=3C2C(C1)=CN3)C=COC
Compound: Cochlearol F
SMILES: O=C(O)/C(=C/C=C/[C@]1(O[C@H](C(O)(C)C)CC1)C)/CC(=O)C2=C(O)C=CC(=C2)O
Compound: (S)-1-(3,5-dihydroxy-4-methylphenyl)-4-hydroxypentan-2-one
SMILES: O=C(CC1=CC(O)=C(C)C(=C1)O)C[C@@H](O)C
Compound: Gladiolin
SMILES: O=C1O[C@H]([C@@H]([C@@H](/C=C(/CC/C=C/C=C/CC(O)CC(CCC(=O)O)C)\C)C)C)C[C@H](O)CCC[C@H](OC)CC=CC=CC[C@@H]([C@H](C[C@H]([C@@H]([C@@H](C1)O)C)O)O)C
Compound: Secocitreoanthrasteroid
SMILES: O=C1[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC1)(CCC2=C(O)C=C3CC[C@@H](CC3=C2C)O)C
Compound: 6-Ketostearoyldrim
SMILES: O=C(OC[C@H]1C(=CCC2[C@@]1(CCCC2(C)C)C)C)CCCCC(=O)CCCCCCCCCCCC
Compound: 3'-(hydroxyl(oxiran-2-yl)methoxy)-holyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](OC(O)C5OC5)[C@@H](C4)N)C)C6=C3C=CC=C6)=C7NC8=C(C27)C=CC=C8
Compound: Cochlearol G
SMILES: O=C(O)/C(=C\C[C@@H]1C(=CC[C@@H](C1(C)C)O)C)/CC(=O)C2=C(O)C=CC(=C2)O
Compound: Xyloester A
SMILES: O=C(O)C(=CCCCCC)C(C(=O)OCC1=CC2=C(OC(C2)C(=C)C)C=C1)C
Compound: Surugamide H
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H]1[C@@H](CC)C)=O)C(C)C)=O)C)=O)C(C)C)CC(C)C)CC2=CC=CC=C2)C(C)C)CCCCN
Compound: Metarhizin A
SMILES: O=C1OC(=C(C)C(=C1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]([C@]3(CCC=C(C)C)C)OC(=O)[C@H](O)[C@H](CC)C)C)O)C
Compound: 11-epichaetomugilin A
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@@H]([C@H](O)C)C)[C@@H]3[C@H]4C(=O)O[C@@H]([C@H]([C@]4(O[C@@]3(C1=O)C)O)C)C
Compound: 3'-epi-5'-methoxy-K252d
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@@H](O)[C@H]([C@H]4OC)O)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Cochlearol H
SMILES: O=C(O)/C(=C\C(=O)C1=C(O)C=CC(=C1)O)/CCC2=C(CC[C@H](C2(C)C)O)C
Compound: 3-(1-Hydroxy-2-methylproyl)-4-methyl-2(5H)-furanone
SMILES: O=C1OCC(=C1[C@@H](O)C(C)C)C
Compound: Solphenazine B
SMILES: O=C(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)OC(=O)C)C)C=2C3=NC=4C(=C(C(=O)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)C=CC4)N=C3C=CC2
Compound: Surugamide I
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)C)=O)C(C)C)=O)CC(C)C)CC2=CC=CC=C2)C(C)C)CCCCN)C(C)C
Compound: 7-oxo-MLR-52
SMILES: O=C1NC(=O)C2=C1C3=C4N([C@]5(O[C@@H](N6C4=C2C7=C6C=CC=C7)[C@H](O)[C@@H]([C@H]5OC)O)C)C8=C3C=CC=C8
Compound: Macrocidin B
SMILES: O=C1N[C@H]2CC3=CC=C(OC[C@H]4[C@H](CCC([C@H](C(=C1C2=O)O)C)O)O4)C=C3
Compound: Cochlearol I
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]1(O)CCC/C=C(/CCC=C(C)C)\C
Compound: Varioxiranol C
SMILES: O(C1=C(C(=CC=C1)/C=C/[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](OC)C)CO)C
Compound: 2-azahypoxanthine
SMILES: O=C1NN=NC2=C1NC=N2
Compound: Surugamide J
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H]1C(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)=O)CCCCN)C(C)C)C(C)C)C)C(C)C
Compound: (-)-applanatumol X
SMILES: O=C1C2=C(O[C@H]3[C@@H]1[C@H](C(=O)O)CC3)C=CC(=C2)O
Compound: 7-oxo-K252b
SMILES: O=C1NC(=O)C2=C1C3=C4N([C@]5(O[C@@H](N6C4=C2C7=C6C=CC=C7)C[C@@]5(O)C(=O)O)C)C8=C3C=CC=C8
Compound: Cochlearol J
SMILES: O=C(OCC)[C@H](CC(=O)C1=C(O)C=CC(=C1)O)CCC=C(C)C
Compound: Spliceostatin D
SMILES: O=C(N[C@H]1[C@H](O[C@@H](C/C=C(/C=C/[C@H]2O[C@@H](CC([C@@H]2O)=C)CC(=O)O)\C)[C@H](C1)C)C)/C=C\[C@@H](OC(=O)C)C
Compound: Acyl-surugamide A
SMILES: O=C1NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(NC(C(N[C@@H](C(NC1C(CC)C)=O)C)=O)C(CC)C)=O)CC(C)C)CC2=CC=CC=C2)[C@H](CC)C)CCCCNC(=O)CCC)C(CC)C
Compound: 2,2,5,5-Tetramethyltetrahydrofuran
SMILES: O1C(CCC1(C)C)(C)C
Compound: Isoomphadione
SMILES: O=C1C(C[C@@H]2[C@H](C(=O)C=C2[C@@]3([C@H]1C3)C)C)(C)C
Compound: Lithocarol A
SMILES: O1C2=C(OC[C@H]1C(O)(C)C)C=C(C)C=C2[C@]3(O[C@@H](OC)C=4C3=C(C=CC4O)CC=C(C)C)OC
Compound: 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione)
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=C5C(=O)C=6C(O)=C([C@@H](OC)CCCCC)C(=CC6C(C5=C4)=O)O)C3)[C@@H](OC)CCCCC
Compound: NW-G12
SMILES: O=C1N2NCCC[C@H]2C(=O)N3NCCC[C@@H]3C(=O)N([C@H](C(=O)N4[C@@H](C(N5[C@H](C(N[C@H]1C(C)C)=O)C[C@@]6(O)C=7C=CC=CC7N[C@@H]56)=O)CCCN4)C)C
Compound: Albucyclone A
SMILES: O=C1NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(NC1C(CC)C)=O)C)=O)[C@H](CC)C)=O)CC(C)C)CC2=CC=CC=C2)[C@H](CC)C)CCCCNC(=O)C3=C4C(=O)C=C(NC)C(C4=CN=C3)=O)C(CC)C
Compound: Hirsutide
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1C(C)C)=O)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C
Compound: Spiromastixone L
SMILES: ClC1=C2OC3=C(Cl)C(O)=C(Cl)C(=C3C(OC2=C(CCC)C(=C1OC)Cl)=O)CCC
Compound: Lithocarol B
SMILES: O1C2=C(OC[C@H]1C(O)(C)C)C=C(C)C=C2[C@@]3(O[C@H](OC)C=4C3=C(C=CC4O)CC=C(C)C)OC
Compound: 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-hydroxyhexyl)anthracene-9,10-dione)
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=C5C(=O)C=6C(O)=C([C@@H](O)CCCCC)C(=CC6C(C5=C4)=O)O)C3)[C@@H](O)CCCCC
Compound: Aspewentin B
SMILES: O=C1C2=C(O)C=C3C(CCCC3=C2CC[C@@]1(C=C)C)(C)C
Compound: Albucyclone B
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)CCCCNC(=O)C2=C3C(=O)C=C(NC)C(C3=CN=C2)=O)=O)[C@@H](CC)C)=O)C(C)C)C)[C@H](CC)C)CC(C)C)CC4=CC=CC=C4
Compound: Libertellenone B
SMILES: O=C1C(O)=C2[C@@](C=CC[C@]2(CO)C)(C)[C@@]3(C1=C[C@@](C=C)(CC3)C)O
Compound: Epinigericin
SMILES: O=C(O)[C@@H]([C@@H]1O[C@H](CC[C@@H]1C)C[C@H]2O[C@]3(O[C@@]([C@@H]4O[C@@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@@H](C)C[C@@H]6C)CO)C[C@@H]5C)(C)CC4)(C)C[C@H]3C)[C@H](C)[C@@H](C2)OC)C
Compound: Lithocarol C
SMILES: O1C2=C(OC[C@H]1C(O)(C)C)C=C(C)C=C2[C@]3(O[C@H](OC)C=4C3=C(C=CC4O)CC=C(C)C)OC
Compound: Penicipene A
SMILES: O=C(O)/C=C(/CC/C=C(/COC(=O)C)\C)\C
Compound: Albucyclone C
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)C)=O)C(C)C)=O)CC(C)C)CC2=CC=CC=C2)[C@H](CC)C)CCCCNC(=O)C3=C4C(=O)C=C(NC)C(C4=CN=C3)=O)[C@@H](CC)C
Compound: 2-Deoxy-11-epi-3a-hydroxysambucoin
SMILES: O1[C@@H]2C=C(CC[C@@]2([C@]3(C[C@H](C[C@]3(C1)O)O)C)C)C
Compound: Concentricol B
SMILES: O=C(O)/C(=C/CC[C@](O)([C@@H](O)CC/C(=C/CC/C=C(/CC[C@H](O)[C@@](O)(CC/C=C(/CO)\C)C)\C)/C)C)/C
Compound: Roselipin-2A
SMILES: O=C(OC[C@H](O)[C@H](O)[C@@H](O)CO)/C(=C/C(C(O)/C(=C/C(C(O)/C(=C/C(C(OC1OC(C(O)C(C1O)O)COC(=O)C)C(CC(CC(CC)C)C)C)C)/C)C)/C)C)/C
Compound: Lithocarol D
SMILES: O1C2=C(OC[C@H]1C(O)(C)C)C=C(C)C=C2[C@@]3(O[C@@H](OC)C=4C3=C(C=CC4O)CC=C(C)C)OC
Compound: Penicipene B
SMILES: O=C(O)C[C@@](OC(=O)C)(CCC=C(C)C)C
Compound: Albucyclone D
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H]1[C@@H](CC)C)=O)C(C)C)=O)C)=O)C(C)C)CC(C)C)CC2=CC=CC=C2)C(C)C)CCCCNC(=O)C3=C4C(=O)C=C(NC)C(C4=CN=C3)=O
Compound: Streptopyrone
SMILES: O=C1C(OC)=C(OC[C@@H]1O)C
Compound: Abikoviromycin
SMILES: O1[C@]2/3C(=NCC[C@H]12)C=C\C3=C/C
Compound: 15-deacetylated citreohybridone E
SMILES: O=C1C(=C(O)[C@]2([C@]1(C(=O)OC)[C@@]3([C@@H](C=C2C)[C@@]4(C(=O)O)[C@@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)C)C
Compound: Lithocarol E
SMILES: O1C2=C(OC[C@H]1C(O)(C)C)C=C(C)C=C2[C@]3(O[C@@H](OC(C)C)C=4C3=C(C=CC4O)CC=C(C)C)OC
Compound: 2-amino-2-deoxy-D-mannonic acid
SMILES: N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O