MonarchInit/C3PO huggingface dataset:
Compound: 7-chloro-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-ol
SMILES: ClC1=C2O[C@H](C(O)(C)C)CC2=CC(=C1)O
Compound: Kempopeptin C
SMILES: ClC1=C(OC)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC([C@H]([C@H](OC([C@@H](NC2=O)C(C)C)=O)C)NC(=O)[C@@H](NC(=O)CCC)C(C)C)=O)CC[C@H]3O)[C@H](CC)C)C
Compound: Momofulvenone B
SMILES: O=C1C2=C(O)C=CC=C2C(O)=C3C1=CC=4C(=O)C(O)(C)C(C(C34)OC(=O)C)O
Compound: Nostoweipeptin W6
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](N(C(=O)C)C)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)C[C@@H](O)C4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)CCC2
Compound: 1-Hydroxy-collybolide
SMILES: O=C1O[C@@H](C2=COC=C2)[C@H](OC(=O)C3=CC=CC=C3)[C@H]4[C@H]1[C@H](O)[C@H]5OC([C@@]4(C5)C)=O
Compound: Furanospartinol
SMILES: O1[C@](OC)([C@@H](O)[C@H]2[C@H]1[C@@H](O)C=C[C@@H]2/C=C/C=C/C=C/C(CC)C)C
Compound: Arundinone A
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=CC2COC(=O)C)C
Compound: Anandin A
SMILES: O=C1N(C2=CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)CCO
Compound: Nostoweipeptin W7
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](NC)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)C[C@@H](O)C4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Compound: Delaminomycin C
SMILES: O=C1NCC(C1=C(O)C2(C3C(C=CC2CC(O)/C=C/C=C/C(C(O)CC)C)CC(C)CC3C)C)=O
Compound: L-fuconate
SMILES: C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C([O-])=O
Compound: 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid
SMILES: O=C(O)CCC(=O)C=1OC([C@H](O)C)=CC1
Compound: Laetiposide F
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](O)CC4)(C)C)C[C@H]3OC5OC(C(O)C(C5O)O)CO)C)CC2)(C)[C@H](C1)O)C)CCC(=C)C(C)C
Compound: Pyranospartinol
SMILES: O1[C@](O)([C@@H](O)[C@H]2[C@H](O)[C@@H](O)C=C[C@@H]2[C@H]1/C=C\C=C/C(O)C(CC)C)C
Compound: Bisabosqual B
SMILES: O=CC1=C(C=C2O[C@](CCC=C(C)C)(C)[C@H]3[C@H]4C2=C1O[C@H]4[C@@](O)(CC3)C)CO
Compound: Sordarin-1-methyl ester
SMILES: O=C(OC)C12C(=CC3C1(C[C@H]4[C@H](C2(C=O)C3)CC[C@H]4C)COC5OC(C(OC)C(C5O)O)C)C(C)C
Compound: Anandin B
SMILES: O=C1N([C@@]2(O)CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)CCO
Compound: Mooreamide A
SMILES: O=C(NC(CO)CO)/C=C\CC/C=C/CCCC/C(=C/C=C/CCCC=C)/C
Compound: Methyl (Z)-4-{[(Z)-1-(hydroxymethyl)-2-phenyl-1-ethenyl] amino}-4-oxo-2-butenoate
SMILES: O=C(OC)/C=C\C(=O)N/C(=C\C1=CC=CC=C1)/CO
Compound: Argyrin C
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(NC(C(N(CC(N[C@@H]2C)=O)C)=O)=C)=O)C)CC=3C4=C(OC)C=CC=C4NC3C)CC=5C6=C(C=CC=C6)NC5
Compound: Asperterrestride B
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N([C@@H](C(NC2=C1C=CC=C2)=O)[C@@H](O)C3=CC=CC=C3)C)C(C)C)C
Compound: (3S)-cis-resorcylide
SMILES: O=C1O[C@H](CCCC=CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Microviridin
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC([C@H]([C@H](OC(C[C@H]5C(N[C@H](C(N[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H]6N(C(=O)[C@@H](CC7=CC=C(O)C=C7)NC3=O)CCC6)C(=O)N5)=O)CC=8C9=C(C=CC=C9)NC8)=O)=O)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)C)CC%10=CC=C(O)C=C%10)=O
Compound: NFX-2
SMILES: O=C1O[C@@H](C)[C@@H]([C@H]1CCCCCC)O
Compound: 2-(2-hydroxyethyl)-4-(3-hydroxypropyl)-6,7-dihydro-1Hcyclopenta[c]pyridine-1,5(2H)-dione
SMILES: O=C1N(C=C(CCCO)C2=C1CCC2=O)CCO
Compound: 6-Deoxy-D-788-7
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](OC5OC(C(O)C(C5)N)C)C[C@]([C@@H](C4=C3O)O)(O)CC
Compound: (3S,7R)-7-methoxyresorcylide
SMILES: O=C1O[C@H](CCC[C@@H](OC)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Obscurolide-C2 methyl ester
SMILES: O=C(OC)CC(NC1=CC=C(C=O)C=C1)C(O)/C=C/C(O)C
Compound: (-)-4-O-(4-O-beta-D-glucopyranosylcaffeoyl)quinic acid
SMILES: O=C(OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O)/C=C/C2=CC(O)=C(O[C@H]3O[C@H]([C@H](O)[C@H]([C@@H]3O)O)CO)C=C2
Compound: Calophycin
SMILES: O=C1N([C@@H](C(=O)N2[C@H](C(=O)N[C@@H]([C@@H](O)C(=O)N[C@H](C(=O)N[C@H](C)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(NCC(N[C@@H]1CCCN=C(N)N)=O)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(=O)O)=O)C(C)C)[C@H](CCCCCCCCCCCC)C)CCC2)CC(=O)N)C
Compound: (Z)-Ocellenyne
SMILES: BrC(C(Br)CC)CC1OC2C(C/C=C\C#C)OC1C2
Compound: (3S,7S)-7-O-n-butylresorcylide
SMILES: O=C1O[C@H](CCC[C@H](OCCCC)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Hypocrellin A
SMILES: O=C1C2=C(O)C(OC)=C3[C@@H](C(=O)C)[C@](O)(C)CC=4C5=C3C2=C(C6=C5C(=C(O)C4OC)C(=O)C=C6OC)C(=C1)OC
Compound: Deoxy-Majusculamide D
SMILES: O=C1N(C(=O)C2N(C(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)C(CC(CCCC)C)C)C)CC3=CC=C(OC)C=C3)C(OC(=O)C)C)C)C(C)C)CCC2)C(C)C=C1
Compound: Glyceryl diorcinolic acid
SMILES: O=C(O)C1=C(OC[C@@H](O)CO)C=C(OC2=CC(O)=CC(=C2)C)C=C1C
Compound: Bacitracin D2
SMILES: S1C(=N[C@@H](C1)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC([C@H](NC([C@@H](NC([C@H](NC2=O)CCCN)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)=O)CC=4NC=NC4)CC(=O)O)CC(=O)N)C(C)C)CCC(=O)O)CC(C)C)[C@@H](N)C(C)C
Compound: GT32-B
SMILES: O=C1NC(CC=CC=C(C=CC=CC(CC=C(C=CC=C1)C)O)C)C/C=C/CCC
Compound: Alantrypinone
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C4(NC(C2C[C@]45C(=O)NC6=C5C=CC=C6)=O)C
Compound: (3S,7R)-7-O-n-butylresorcylide
SMILES: O=C1O[C@H](CCC[C@@H](OCCCC)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Majusculamide D
SMILES: O=C1N(C(=O)C2N(C(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)C(CC(CCCC)C)C)C)CC3=CC=C(OC)C=C3)C(OC(=O)C)C)C)C(C)C)CC(C2)O)C(C)C=C1
Compound: 3beta-hydroxyganodernoid D
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)CC([C@]4(C1)C)=C(CC(=O)CC(C(=O)O)C)C)C
Compound: Decumbenone D
SMILES: O=C([C@]1([C@](O)(C=CC=2[C@@H]1[C@@H](O)C[C@@H](C2)C)C)C)CCOCC
Compound: Armochaetoglobin C
SMILES: O=C1N[C@@H](CC=2C3=C(C=CC=C3)NC2)[C@H]4[C@]1(C(=O)CCCO)[C@@H](/C=C/CC(/C=C(/C=O)\C)C)[C@@H]5O[C@]5(C)[C@H]4C
Compound: Talarodilactone A
SMILES: O=C1O[C@H](CCC[C@H](OC(=O)[C@@]2(OC(=O)C(=C2C3=CC=CC=C3)O)CCC(=O)OC)CC(CC=4C1=C(O)C=C(O)C4)=O)C
Compound: Mirabilene A isonitrile
SMILES: O([C@H](/C(=C/C(=C/C[C@@H]([N+]#[C-])C)/C)/C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C
Compound: Aspyronol
SMILES: O=C1O[C@@H]([C@@H](O)C=C1[C@H](OC)[C@H](O)C)C
Compound: Dragonamide E
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)C(C)C)C)/C(=C/CCCC#C)/C
Compound: Talarodilactone B
SMILES: O=C1O[C@H](CCC[C@@H](OC(=O)[C@@]2(OC(=O)C(=C2C3=CC=CC=C3)O)CCC(=O)O)CC(CC=4C1=C(O)C=C(O)C4)=O)C
Compound: SEK4b
SMILES: O=C1OC(=CC(=C1)O)C[C@@]2(OC3=C(C(=CC(=C3)O)C)C(C2)=O)O
Compound: Asperginine
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(O)C[C@H]1NC(=O)[C@H](N)CC(C)C)C([C@H]2C(C)C)=O
Compound: Strophasterol B
SMILES: O=C1C2=C([C@@]3([C@]4(C[C@@H](O)CC3)[C@H]([C@@H]2O)O4)C)CC[C@@]1([C@H]5C(C(CC(C(C)C)C)CC5)C)C
Compound: Mirabilene B isonitrile
SMILES: O([C@H](/C(=C/C(=C/C=C(/[N+]#[C-])\C)/C)/C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C
Compound: Talumarin A
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(O)=CC2)CCC(=O)O
Compound: 12'-Hydroxyroridin E
SMILES: O=C1OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)CO)[C@H](O)C)C
Compound: Spiroxin D
SMILES: O=C1C2=C3C(O[C@]45[C@@H]6O[C@@H]6C(C=7C5=C([C@@]3(O4)[C@H]8[C@@H]1O8)C=CC7O)O)=CC=C2
Compound: 3-[(7R)-5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl]propanenitrile
SMILES: O=C1N[C@@H](C2=NC=3C=CC=CC3C(N2C4=C1C=CC=C4)=O)CCC#N
Compound: Mirabilene C isonitrile
SMILES: O([C@H](/C(=C/C(=C\C=C(\[N+]#[C-])/C)/C)/C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C
Compound: Spiromastol G
SMILES: O=C1O[C@@H](CC=2C1=C(OC3=C(O)C=C(O)C=C3CCC)C=C(O)C2)C
Compound: Talumarin B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(O)=CC2)CCC(=O)OCCCC
Compound: Verrucine A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@@H]2CCC(=O)N)=O)CC4=CC=CC=C4
Compound: W493 C
SMILES: O=C1O[C@H]([C@@H](CCCCCCCC)C)CC(=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(CC)C)=O)CC2=CC=C(O)C=C2)=O)CCC(=O)N)=O)C)C)[C@H](O)C
Compound: Mirabilene D isonitrile
SMILES: O([C@H](/C(=C/C(=C/C=C(\[N+]#[C-])/C)/C)/C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C
Compound: Conidiogenone F
SMILES: O=C1C=C[C@@H](C)[C@@]23[C@@]1(CC[C@@H]2[C@H]4C([C@H](O)C[C@]4(C3)C)(C)C)C
Compound: Arthpyrone C
SMILES: O=C1N(O)C=C([C@]2(OC)[C@@H]3O[C@@H]3[C@H](O)CC2)C(=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)O
Compound: (3S,7S)-7-hydroxyresorcylide
SMILES: O=C1O[C@H](CCC[C@H](O)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Mirabilene E isonitrile
SMILES: O([C@H](C(/C=C(\C/C=C(/C#N)\C)/C)=C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C
Compound: W493 D
SMILES: O=C1O[C@H]([C@@H](CC/C=C/CCCCCC)C)CC(=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(CC)C)=O)CC2=CC=C(O)C=C2)=O)CCC(=O)N)=O)C)C)[C@H](O)C
Compound: (3R,4S)-3,4-dihydro-4,5,8-trihydroxy-3-methylisocoumarin
SMILES: O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2O)C
Compound: Acetylalterporriol E
SMILES: O=C1C2=C(C3=C4C(=O)C5=C([C@H](O)[C@@H](O)[C@]([C@@H]5O)(O)C)C(C4=C(O)C=C3OC)=O)C(OC)=CC(=C2C(=O)C6=C1[C@@H](O)[C@@](O)(C)[C@@H]([C@H]6O)OC(=O)C)O
Compound: Cyclipostin A2
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCC(O)CC(C)C
Compound: (3S,7R)-7-hydroxyresorcylide
SMILES: O=C1O[C@H](CCC[C@@H](O)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Mirabilene F isonitrile
SMILES: O([C@H](/C(=C/C(=C/C[C@@H]([N+]#[C-])C)/C)/C)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)C[C@@H](OC)CC=C)C
Compound: Scoparasin D
SMILES: O=C1OC=C[C@@](O)(C(=O)[C@@H](C)CC=C[C@@H]2[C@]3(O1)C(=O)N[C@H]([C@@H]3[C@H](C)C([C@H]2O)=C)CC4=CC=C(OC)C=C4)C
Compound: Penicifuran B
SMILES: O=C(OCC=1C2=C(C(OC)=CC(=C2)O)OC1C)C
Compound: Trienomycin G
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C(C(OC(=O)C(NC(=O)C3CCCCC3)C)C(C)C(CC=CC=CC=CC(C1)OC)O)C
Compound: 19-O-oleoylsarcodonin A
SMILES: O=C(OC[C@H](C1=C2C3=CC=C(C=O)C[C@@H]([C@@]3(CC[C@@]2(C)CC1)C)O)C)CCCCCCC/C=C\CCCCCCCC
Compound: (3S,7S)-7-methoxyresorcylide
SMILES: O=C1O[C@H](CCC[C@H](OC)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Scytophycin A
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@]2(OC2)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O3)C)[C@H]([C@@H](O)[C@H](CCC(O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: Beauvenniatin C
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC2=CC=C(O)C=C2)C)C(C)C)C(C)C)C)C(C)C
Compound: Scopararane C
SMILES: O=C1[C@]2([C@](O)(C(=C)CC1)C[C@H](C(O)(C)C)CC2)C
Compound: 13-deacetoxyaustalide I
SMILES: O=C1OC([C@H]2CC[C@@]3([C@H]([C@@]2(CC1)C)CC=4C(OC)=C5C(=O)OCC5=C(C4O3)C)C)(C)C
Compound: U-77864
SMILES: O=C(N)C[C@H](O)C1=C(C=CC=C1)C
Compound: Scytophycin D
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@](O)([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O2)C)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: Lactone acid n-butyl ester
SMILES: O=C1O[C@@H](CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2
Compound: Radarin C
SMILES: O=C1[C@@H]([C@@]2([C@H]([C@]3([C@@H]([C@]([C@H](C)CC3)(CC=4C5=C(C=CC=C5)NC4)C)CC2)C)CC1)C)C
Compound: (4R)-4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydroisochromen-1-one
SMILES: O=C1OC[C@H](O)C=2C1=C(O)C(=C(OC)C2)CO
Compound: Diepoxin kappa
SMILES: O=C1[C@]23O[C@@]2([C@@H](O)[C@@H](C1)OC)[C@@H](O)[C@@H]4[C@H](C35OC=6C=7C(C=CC6)=CC=CC7O5)O4
Compound: (E)-1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one
SMILES: O=C(C1=C(O)C(=C(O)C=C1OC)CCO)/C=C/C
Compound: 4-methoxylactone acid n-butyl ester
SMILES: O=C1O[C@@](OC)(CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2
Compound: Scytophycin E
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O2)CO)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: 2,6-dihydroxy-2-methyl-7-(prop-1E-enyl)-1-benzofuran-3(2H)-one
SMILES: O=C1C2=C(C(=C(O)C=C2)/C=C/C)O[C@@]1(O)C
Compound: Corynesporol
SMILES: O=C1C2=C(C(OC)=CC(=C2)OC)[C@@H](O)[C@H]3[C@H]1C[C@@](O)(C)OC3
Compound: 5,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydroisochromen-1-one
SMILES: O=C1OCCC=2C1=C(O)C(=C(OC)C2O)CO
Compound: Pinophilin D
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)O)C=CCO
Compound: Coniochaetone I
SMILES: O=C1C2=C(OC3=C1C(=O)CC3)C=C(COC(=O)C)C=C2O
Compound: Lactone diacid 7-O-n-butyl ester
SMILES: O=C1O[C@](C(=O)O)(CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2
Compound: Kimbeamide A
SMILES: Cl/C=C(/C/C=C/C=C/C(=O)N[C@H](/C=C\CC/C=C/Cl)C)\C
Compound: Spiroinonotsuoxodiol
SMILES: O=C1[C@@]2([C@@]3([C@H](C([C@@H](O)CC3)(C)C)C[C@@H]2O)C)CC[C@]4([C@]1(CC[C@@H]4[C@@H](CCC=C(C)C)C)C)C
Compound: 8-hydroxy-6-methoxy-3,4-dihydro-1H-isochromene-7-carbaldehyde
SMILES: O=CC1=C(O)C2=C(CCOC2)C=C1OC
Compound: 6-methylcristazarin
SMILES: O=C1C(OC)=C(C(=O)C=2C1=C(O)C(O)=C(CC)C2O)C
Compound: Aspersymmetide A
SMILES: O=C1N[C@H](C(=O)N2[C@H](C(=O)NC3=C(C(=O)N[C@H](C(N4[C@H](C(NC5=C1C=CC=C5)=O)CCC4)=O)CC6=CC=CC=C6)C=CC=C3)CCC2)CC7=CC=CC=C7
Compound: Kimbeamide B
SMILES: Cl/C=C(/C\C=C/C=C/C(=O)N[C@H](/C=C\CC/C=C/Cl)C)\C
Compound: F-10748 C1
SMILES: O=C(OC1C(O)C2(OC(C1OC3OC(C(O)C(C3O)O)COC(=O)CCCC)CO)OCC=4C2=C(O)C=C(O)C4)/C=C/C=C/CC(O)C(CCC/C=C/C(CC)C)C
Compound: 8-hydroxy-1,6-dimethoxy-3,4-dihydro-1H-isochromene-7-carbaldehyde
SMILES: O=CC1=C(O)C2=C(CCO[C@@H]2OC)C=C1OC
Compound: Xanthocillin-X monomethylether
SMILES: O(C1=CC=C(/C=C(\[N+]#[C-])/C(/[N+]#[C-])=C/C2=CC=C(O)C=C2)C=C1)C
Compound: Cupreal
SMILES: O=C[C@@]12[C@]([C@@H]3[C@@H](CC(C3)(C)C)[C@@H]([C@@H]1CO)C)(C)C2
Compound: Kimbeamide C
SMILES: Cl/C=C(/C\C=C/C=C/C(=O)N[C@H](/C=C/CC/C=C/Cl)C)\C
Compound: Dichocerazine A
SMILES: S([C@@H]1N(C(=O)C2=CC3=C(N2C1=O)C=CC=C3)C)C
Compound: Cystochromone A
SMILES: O=C1C2=C(OC(=C1)CC(=O)C)C=C(O)C=C2CCCCCCCCCCCCCC(O)(C)C
Compound: 3,4-dihydroxy-6,7-dimethyl-quinoline-2-carboxylic acid
SMILES: O=C1C(O)=C(NC2=C1C=C(C)C(=C2)C)C(=O)O
Compound: 18-dihydro-angolamycin
SMILES: O=C1C=CC2(OC2C(C(OC(=O)CC(C(C(C(CC1C)CCO)OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3)N(C)C)C)C)O)CC)COC5OC(C(O)C(C5OC)OC)C)C
Compound: 10alpha,11-dihydroxyamorph-4-ene
SMILES: O[C@]1([C@@H]2[C@@H](C=C(C)CC2)[C@@H](C(O)(C)C)CC1)C
Compound: Dichocerazine B
SMILES: S([C@@]1(N(C(=O)[C@@]2(SC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C(=O)C=C3)O)C)CO)C
Compound: Janthielamide A
SMILES: Cl/C=C\C=C\[C@@H](C/C=C/[C@@H](CCNC(=O)C=C(C)C)C)C
Compound: Bis-7-O-8.8-O-7-zinniol
SMILES: O1CC2=C(OC)C(=C(OCC=C(C)C)C=C2COCC3=C(C1)C=C(OCC=C(C)C)C(=C3OC)C)C
Compound: Aflaquinolone G
SMILES: O=C1NC2=C(C=CC=C2)[C@@]([C@H]1O)(O)C3=CC=CC=C3
Compound: 2-[(5-methyl-1,4-dioxan-2-yl)methoxy]ethanol
SMILES: O1C(COC(C1)C)COCCO
Compound: UCE-1022
SMILES: S(=O)(=O)(OC=1C2=C(O)C=3C(=O)C4=C(O)C=C(O)C=C4C(C3C=C2C=C(C1)O)=O)O
Compound: Kimbelactone A
SMILES: Cl/C=C(/C=C/C(/C=C\C=C\CCC1OC(=O)C=C(C1)OC)C)\C
Compound: Dichotomocej A
SMILES: O=C(N[C@H](CO)CC(C)C)\C(=C/C=C/C)\C
Compound: Carbazomycin G
SMILES: O=C1C(OC)=C([C@@](O)(C)C2=C1C3=C(C=CC=C3)N2)C
Compound: Micromonospolide C
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(=O)/C=C/C(C(O)/C=C/C=C/C)C)C)C
Compound: Dysideaproline B
SMILES: ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CC(C1)C)CC(C(Cl)Cl)C)C)C
Compound: Sargabetaopenilline H
SMILES: O=C1C2=C([C@@H]([C@]3(O[C@H](CC[C@@H]3OC(=O)C)C)OC2)C)C[C@@H]([C@]1(O)C)O
Compound: Dichotomocej C
SMILES: O=C(N[C@H](COC)CC(C)C)\C(=C/C=C/C)\C
Compound: Enniatin E
SMILES: O=C1OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(OC(C(N(C1C(CC)C)C)=O)C(C)C)=O)CC(C)C)C)C(C)C)C(C)C)C)C(C)C
Compound: Aranciamycin J
SMILES: O=C1C2=C(O)C3=C(C(=O)[C@](O)(C)C[C@@H]3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4OC)O)C)C=C2C(=O)C=5C1=C(O)C=CC5
Compound: TMC-256A1
SMILES: O=C1C=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C
Compound: Acidiscalide
SMILES: O=C1C=CCC(O)C(C(OC(=O)CC(O)C(C(=O)C(=CC(C(C=CC(C(C(CC1(O)C)C)O[C@@H]2O[C@@H](C[C@@H]([C@H]2O)OC)C)C)=O)C)C)C)C(C(O)C)C)C
Compound: Dysideaproline D
SMILES: ClC(Cl)C(CC(N(C(=O)CC(C)C)C)C(=O)N1C(C=2SC=CN2)CCC1)C
Compound: Dichotomocej D
SMILES: O=C(N[C@H](COC(=O)CC=1C2=C(C=CC=C2)NC1)CC(C)C)/C(=C\C=C\C)/C
Compound: 2-(1-Propen-1-yl)-4-hydroxymethyl-3-furanylcarbonyla-L-Rhamnopyranoside
SMILES: O=C(OC1OC(C(O)C(C1O)O)C)C2=C(OC=C2CO)/C=C/C
Compound: Ustusol B
SMILES: O=C1C=C([C@](O)(CO)[C@@]2([C@@H]1C(C[C@H](C2)O)(C)C)C)C
Compound: Alachalasin D
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@@H]([C@@H]4[C@]([C@H](C1)O)(O4)C)C)O)=C)C
Compound: Dysideaproline E
SMILES: ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CCC1)CC(C)C)C)C
Compound: 2-[[(2R)-2-hydroxypropanoyl]amino]benzamide
SMILES: O=C(N)C1=C(NC(=O)[C@H](O)C)C=CC=C1
Compound: Dichocetide A
SMILES: O[C@H]1[C@@H](C2=C(C=C(C)C(=C2)C[C@@H](O)C)C[C@H]1C)C
Compound: Palmarumycin C15
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14[C@]56O[C@]5([C@H](O)C=CC6O)[C@H](O)[C@H]7[C@@H]4O7
Compound: Elijopyrone C
SMILES: O=C1OC(=C(C)C=C1CC(C)C)CC
Compound: Cytochalasin Z27
SMILES: O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H](C2C(C)=C([C@H]([C@@H]3C=CC[C@@H]1C)O)C)CC4=CC=C(O)C=C4)C
Compound: Beauvericin K
SMILES: O=C1O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(O[C@H](C(N([C@@H]1CC2=CC=CC=C2)C)=O)C(C)C)=O)CC(C)C)C)C(C)C)CC3=CC=CC=C3)C)C(C)C
Compound: 4-methyl-candidusin A
SMILES: O1C2=C(OC)C(C3=CC=C(O)C=C3)=CC(=C2C4=C1C=C(OC)C(=C4)O)OC
Compound: Dysideaproline F
SMILES: ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CCC1)CC(CCl)C)C)C
Compound: Palmaenone A
SMILES: ClC1=C(/C(/Cl)=C/C)[C@](O)(C(=O)OC)[C@@H](C1=O)Cl
Compound: (2E)-2-Decene-4,6,8-triynedioic acid
SMILES: O=C(O)C#CC#CC#C/C=C/C(=O)O
Compound: Pyrenulic acid E
SMILES: O=C(O)/C=C/C=C/[C@H]1O[C@@H]([C@](O)(C)[C@H]2[C@@H]([C@@H]1O)[C@H]3[C@@H](CC(C)=CC3)C=C2C)[C@@H](CC)C
Compound: (R)-2-(1-methyl-2-oxopropylamino)-benzoic acid
SMILES: O=C(O)C1=C(N[C@@H](C(=O)C)C)C=CC=C1
Compound: Dysideaproline A
SMILES: ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CCC1)CC(C(Cl)Cl)C)C)C
Compound: Aspetritone A
SMILES: O=C1C(OC)=C(OC)C(=O)C=2C1=C(O)C3=C([C@H](O)[C@@H](O)[C@@H](C3)C)C2
Compound: Microseiramide
SMILES: O=C1N2[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)CO)=O)[C@H](CC)C)=O)CC(=O)N)C(C)C)CC3=CC=CC=C3)CCC2
Compound: isoglutamine
SMILES: OC(CCC(C(N)=O)N)=O
Compound: Arenatin A
SMILES: O1C2=C(OC)C(=C(O)C=C2C3=C1C=C(O)C(=C3)OCC=C(C)C)C4=CC=C(O)C=C4
Compound: Kandenol E
SMILES: O=C1C=C([C@]23OC(C)(C)[C@H](C2)[C@@H](C[C@]3(C1)C)O)C
Compound: Chromomycin A2-1
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O)C)C=C3C=C2CC(C1O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@H](OC(=O)C(C)C)[C@](C7)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C
Compound: Aspetritone B
SMILES: O=C1C2=C(O)C(OC)=C(OC)C=C2C(=O)C3=C1C[C@@](O)(C)[C@@H](C3)O
Compound: Dysideaproline C
SMILES: ClC(Cl)C(CC(=O)NC(C(=O)N1C(C=2SC=CN2)CCC1)CC(C(Cl)Cl)C)C
Compound: Sch 50673
SMILES: O=C1C=CC(=O)[C@]23[C@]1(O2)C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@@H]7O[C@@H]7[C@]3(OC)O
Compound: Chromomycin A3-1
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O)C)C=C3C=C2CC(C1O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@](C7)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C
Compound: Dehydroradiosumin
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)C)/C=C\1/C=C[C@H](N)CC1)/C=C/2\C=C[C@H](NC(=O)C)CC2
Compound: 6,8-di-O-acetylmalyngamide 2
SMILES: Cl/C=C(\[C@H]1C(=O)[C@@H](OC(=O)C)C[C@@H]([C@]1(O)C)OC(=O)C)/CNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC
Compound: Ergobalansine
SMILES: O=C1N[C@H]([C@@]2(O[C@](C(N2[C@H]1CC(C)C)=O)(NC(=O)[C@@H]3C=C4C5=C6C(NC=C6C[C@H]4N(C3)C)=CC=C5)C)O)C
Compound: L-glutamic acid 5-methyl ester
SMILES: COC(=O)CC[C@H](N)C(O)=O
Compound: Barbaleucamide A
SMILES: ClC(Cl)(Cl)C(CC(OC)=CC(=O)NC(C=1SC=CN1)CC(C(Cl)(Cl)Cl)C)C
Compound: LI-F07a
SMILES: O=C1O[C@@H]([C@H](NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N)C(=O)N[C@@H](C(=O)N[C@@H](CCC2=CC=CC=C2)C(N[C@@H](C(N[C@@H](C(N[C@@H]1C)=O)CC(=O)N)=O)[C@H](O)C)=O)C(C)C)C
Compound: [(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[6-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2S,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2CC(C1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C(C)C)[C@](C8)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C
Compound: Cochinmicin V
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)C=2NC=CC2)CC3=CC=CC=C3)C(=O)NC(C(=O)N[C@@H](C(N[C@@H](C(N[C@H]1C4=CC(O)=CC(=C4)O)=O)C5=CC(O)=CC(=C5)O)=O)C)CC6=CC=CC=C6)C
Compound: Guignardone E
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@H](OC)C[C@@H]1O
Compound: 6-O-acetylmalyngamide 2
SMILES: Cl/C=C(\[C@H]1C(=O)[C@@H](OC(=O)C)C[C@@H]([C@]1(O)C)O)/CNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC
Compound: Barbaleucamide B
SMILES: ClC(Cl)(Cl)C(C/C(/OC)=C/C(=O)N(C(C=1SC=CN1)CC(C(Cl)(Cl)Cl)C)C)C
Compound: [(2R,3S,4R,6S)-6-[[6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2S,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2CC(C1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C)[C@](C8)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C
Compound: Aeruginosin 205-B
SMILES: ClC1CC2N(C(=O)[C@@H](NC(=O)[C@H](OS(=O)(=O)O)CC3=CC=CC=C3)[C@H](OC4OCC(O)C(C4O)O)C(C)C)C(C(=O)NCCCCN=C(N)N)CC2CC1
Compound: BE-40665D
SMILES: BrC=1C=2C(=C(O)C=3C(=O)C(C)C(C4(C3C2)OC(=O)C=C4OC)(O)C(C)C)C(O)=CC1
Compound: 1,10,11,12-Guaianetetrol
SMILES: S(=O)(=O)(OCC(O)([C@H]1C[C@@H]2C(O)(CC[C@@H]2C)[C@@](CC1)(O)C)C)O
Compound: Thermolide G
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@@H]1C(C)C)=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: N-demethyl-isomalyngamide I
SMILES: Cl/C=C(/[C@]12O[C@H]1C[C@H]([C@H](C2=O)C)O)\CNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC
Compound: Balticidin A
SMILES: ClC(CCCCCCCCCC(O[C@@H]1OC[C@@H](O)[C@H]([C@@H]1O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H]([C@H]2O)O)C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N/C(/C(=O)NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)O)CCC(=O)N)C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)C)C)CCC(=O)N)=C\C)C(O)C4=CC=C(O)C=C4)C(O)C)C(O)C)C(O)C)CCC
Compound: [(2R,3S,4R,6S)-6-[[6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@@H]5O[C@@H]([C@H](O)[C@@H](C5)O)C)C)C=C3C=C2CC(C1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C)[C@](C8)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C
Compound: Elfvingic acid B
SMILES: O=C1C=C2[C@@]3(C(C(C(=O)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1(C(=C[C@H]5O)C(O)(CC(=O)CC(C(=O)O)C)C)C)C)C
Compound: Xylaguaianol A
SMILES: O[C@]1([C@@H]2[C@@H]([C@@](O)(C)CC2)C[C@H](CC1)[C@](O)(CO)C)C
Compound: Micropeptin TR1058
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)C(=O)N[C@H](C(=O)N[C@H]4CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC5=CC=C(O)C=C5)C)=O)CC(C)C)C4=O)O)CCC(=O)N)C
Compound: Juanlimycin A
SMILES: O=C1C=CC(=CC[C@H](O)C2=C3C(NC([C@@]3(NC4=C(C(=O)O)C=CC=C4)C(=O)C=CC(=CC[C@@H](C5=C6[C@]1(NC7=C(C(=O)O)C=CC=C7)C(=O)NC6=CC(=C5)O)O)C)=O)=CC(=C2)O)C
Compound: Balticidin B
SMILES: ClC(CCCCCCCCCC(O[C@@H]1OC[C@@H](O)[C@H]([C@@H]1O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]2O)O)C(O)C(=O)NC(C(=O)NC3C(=O)NC(C(=O)NC(C(=O)N/C(/C(=O)N[C@@H](CCC(=O)N)C(NCC(N(C(C(N[C@@H](C(OC3C)=O)CCC(=O)N)=O)C(O[C@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)CO)C)C)=O)=O)=C\C)C(O)C5=CC=C(O)C=C5)C(O)C)C(O)C)CCC
Compound: Trichocellin-A-VI
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(CC)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)CC(C)C)(C)C
Compound: [(2R,3S,4R,6S)-6-[[6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2S,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2CC(C1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O)[C@](C8)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C
Compound: Leupyrrin B1
SMILES: O=C1OCC2OC(C=3NC(CC=C(C4C(OC(C=C1CC(C)C)=O)C(C(=O)O4)(CO)C)C)=CC3)=NC2/C=C\5/C(=C(/CCCOC)\C)/COC5CC(C)C
Compound: Aeruginosin TR642
SMILES: O=C(NC1C(O)N(C(=N)N)C=CC1)[C@@H]2N(C(=O)[C@H](NC(=O)[C@H](O)CC3=CC=C(O)C=C3)[C@H](CC)C)[C@@H]4C[C@H](OC(=O)C)CC[C@@H]4C2
Compound: Balticidin C
SMILES: O=C(N[C@H](C(=O)NCC(=O)N(C(C(=O)N[C@@H](C(=O)O)CCC(=O)N)C(O[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)CO)C)C)CCC(=O)N)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(O[C@@H]2OC[C@@H](O)[C@H]([C@@H]2O)O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]3O)O)CCCCCCCCCCCCC)C(O)C)C(O)C)C(O)C)C(O)C4=CC=C(O)C=C4)=C/C
Compound: Sterehirsutinal
SMILES: O=CC1=C(O)C(C#CC(=C)C)=CC(=C1C#CC(=C)C)O
Compound: Cortenuamide B
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)COC1OC(C(O)C(C1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCC
Compound: Fluvirucinin C1
SMILES: O=C1NCCC[C@H](CCC[C@H](CCC([C@H]1CC)=O)CC)CC
Compound: Speciosin R
SMILES: O=C(OC/C(=C/C[C@H]1[C@@H](O)CC[C@H](C1)O)/C)C
Compound: Paecilin E
SMILES: O=C1C2=C(O)C(C3=C4O[C@@](C(=O)OC)([C@H]5OC(=O)C[C@H]5C)CC(C4=C(O)C=C3)=O)=CC=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)C[C@H]6C
Compound: L-glutamine amide
SMILES: N[C@@H](CCC(N)=O)C(N)=O
Compound: 3-chloro-4-O-demethylmicrophyllinic acid
SMILES: ClC1=C(O)C(=C(CC(=O)CCCCC)C=C1O)C(=O)OC2=CC(O)=C(C(=O)O)C(=C2)CC(=O)CCCCC
Compound: Balticidin D
SMILES: O=C/1N[C@H](C(=O)NCC(=O)N(C(C(=O)N[C@@H](C(=O)OC(C(C(NC(C(NC(C(N\C1=C/C)=O)C(O)C2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O[C@@H]3OC[C@@H](O)[C@H]([C@@H]3O)O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]4O)O)CCCCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(O[C@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)CO)C)C)CCC(=O)N
Compound: NK10958P
SMILES: O=C1O[C@@H]([C@H](CC)C=C1)C[C@@H](O)[C@@H]([C@H](O)[C@H](C/C=C/C)C)C
Compound: Ethyltrimethylpyrazine
SMILES: N1=C(C(=NC(=C1C)C)C)CC
Compound: Fluvirucinin C2
SMILES: O=C1NCCC[C@](O)(CCC[C@H](CCC([C@H]1CC)=O)CC)CC
Compound: 11-methyl-11-hydroxyldodecanoic acid amide
SMILES: O=C(N)CCCCCCCCCC(O)(C)C
Compound: Neonectriolide B
SMILES: O=C1O[C@H]2C=3C(O[C@@]4([C@H]2C[C@@H](C)O4)C[C@@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC
Compound: Tasiamid E
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)CC(C)C)CC(C)C)C)CCC(=O)N)[C@H](CC)C)C)CC2=CC=CC=C2)CCC1
Compound: Soyasaponine I
SMILES: O=C(O)C1OC(OC2[C@@](C3[C@](C4[C@@](C5C(C6[C@@]([C@H](O)CC(C6)(C)C)(C)C[C@@H]5C)=CC4)(C)CC3)(C)CC2)(CO)C)C(OC7OC(C(O)C(C7OC8OC(C(O)C(C8O)O)C)O)CO)C(C1O)O
Compound: Chlokamycin
SMILES: Cl[C@@H]1[C@H](O)C2[C@@H]3[C@H](C=CC(O)=C4C(=O)N[C@H](C4=O)[C@@H](O)CCNC(C=CC3)=O)CC2[C@@H]5[C@@H]1[C@@H]([C@H](C)C5)C(OC)C
Compound: 5-methyl-3-isoxazolyl sulfate
SMILES: Cc1cc(OS(O)(=O)=O)no1
Compound: Cladophyllol
SMILES: O1[C@@H](O)[C@H]2[C@H](O)C[C@H](C)[C@H]3C(=C2C1)CC(C)(C)[C@H]3O
Compound: Aspergide
SMILES: O=C1OC(=O)[C@]2(C1=C[C@@H](C[C@@H](CC)C3=C(C2)C(=O)OC3=O)CC)C
Compound: N1-acetyl-N7-phenylacetyl cadaverine
SMILES: O=C(NCCCCCNC(=O)C)CC1=CC=CC=C1
Compound: Tasiamid C
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](O)C(C)C)C(C)C)C)CCC(=O)N)[C@H](CC)C)C)C)CC2=CC=CC=C2)CCC1
Compound: Syringostatin B
SMILES: ClCC(O)C1NC(=O)C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(C(NC(C(NC(C(COC1=O)NC(=O)CC(O)C(O)CCCCCCCCCC)=O)CCN)=O)CCN)=O)CCO)CCCN)C(O)C)=C/C)C(O)C(=O)O
Compound: SB-253514
SMILES: O=C1O/C(=C/C(=O)NC(=O)C[C@H](O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)CCCCCCCCCCC)/[C@H]3N1CCC3
Compound: Pseudoalteromone C
SMILES: O=C(CCC[C@]1(OC2=C(OC)C(O)=C(O)C(=C2C=C1)C)C)C
Compound: Petrocidin A
SMILES: O=C1N[C@H](C(=O)NCCC[C@H]1NC(=O)C2=C(O)C(O)=CC=C2)CC(C)C
Compound: Tasiamid D
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](O)C(C)C)C(C)C)C)CCC(=O)N)[C@H](CC)C)C)CC2=CC=CC=C2)CCC1
Compound: Oblongolide Q
SMILES: O=C1OC[C@@H]2[C@]1([C@@H]3[C@@H]([C@H]4[C@@H]2O4)C[C@@H](C)CC3)C
Compound: 8-(4'-O-methyl-alpha-ribopyranosyloxy)-2-methylquinoline
SMILES: O1C(OC=2C3=NC(=CC=C3C=CC2)C)C(O)C(O)C(C1)OC
Compound: Xylaropyrone
SMILES: O=C1C(=COC(=C1)CC[C@@H](CC)C)CO
Compound: Zoumbericin A
SMILES: O=C1OC(=CC(=C1)OC)CC2=C(C(O)=CC=C2)C(=O)C3=CC=CC=C3
Compound: AD0157
SMILES: ClC12C(=O)C(=C(C(=O)C3C(O)(C(=O)/C=C/C)CC4C3C(CC(C(=O)O)C4)C)C(C15C(=O)NC(C25CCCCCC)=O)=O)/C=C/C
Compound: Ganbajunin A
SMILES: O=C1C(OC(=O)CC2=CC=CC=C2)=C(C(=O)C(=C1C3=CC=C(OC(=O)CC4=CC=CC=C4)C=C3)OC)C5=CC=C(OC(=O)CC6=CC=CC=C6)C=C5
Compound: Nostosin C
SMILES: O=C(N[C@H](C=O)CCCN=C(N)N)[C@@H](NC(=O)CCCC1=CC=C(O)C=C1)[C@H](CC)C
Compound: Dimethylmenaquinone DMMK-8(VIII-H2)
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)\C)\C)\C)\C)\C)C)C(=C(C)C=C2)C
Compound: Alternarizine B
SMILES: O=C1N([C@H](C(=O)N[C@H]1CC2=CC=C(OCC=C(C)C)C=C2)CC3=CC=C(OC)C=C3)C
Compound: 4-Me-6E,8E-16:2 methyl ester
SMILES: O=C(OC)CC[C@@H](C/C=C/C=C/CCCCCCC)C
Compound: Zoumbericin B
SMILES: O=C1OC(=CC(=C1)OC)CC2=CC(O)=CC=C2
Compound: Cystochromone E
SMILES: O=C1C2=C(OC(=C1)CC(O)C)C=C(O)C=C2CCCCCCC(O)C(O)CCCCCC(O)(C)C
Compound: Nostosin D
SMILES: O=C(N[C@H](C=O)CCCN=C(N)N)C(NC(=O)C(O)CCC1=CC=C(O)C=C1)C(C)C
Compound: Xylarenal B
SMILES: O=C1[C@@H](C(C=O)=C)C[C@]2([C@@H](CC[C@@H](C32C1O3)OC(=O)CCCCCCCCC)C)C
Compound: Myrothecine B
SMILES: O=C1OC[C@@]23C4(C5(O)[C@H](OC2[C@@H]([C@](O)(C)CC3)C5)C[C@H]4OC(=O)C=CCC[C@]6([C@@H](C(=C1)CCO6)O)C(=O)CO)C
Compound: Azasperpyranone A
SMILES: O=C1C2=C(C3=CC=4C(=C(C)C(=C(C4O[C@]3([C@@]1(O)C)O)O)O)CO)C=C(/C=C/C(=C/[C@H](CC)C)/C)OC2
Compound: Germicidin K
SMILES: O=C1OC(=CC(C1(O)CC)=O)C(CC)C
Compound: Tsugicoline B
SMILES: O=C1C2=C([C@@H](O)[C@@H]3CC(C[C@@H]3[C@@]2(C)C1)(C)C)CO
Compound: Nostosin E
SMILES: O=C(N[C@H](CO)CCCN=C(N)N)[C@@H](NC(=O)CCCC1=CC=C(O)C=C1)[C@H](CC)C
Compound: 5'-epi-beta-ergokryptine
SMILES: O=C1N2[C@H](C3O[C@](C(N3[C@@H]1[C@@H](CC)C)=O)(NC(=O)[C@@H]4C=C5C6=C7C(NC=C7CC5N(C4)C)=CC=C6)C(C)C)CCC2
Compound: Penicitrinol D
SMILES: O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3C[C@]1(OC)C)C
Compound: Germicidin L
SMILES: O=C1OC(=CC([C@@]1(O)CC)=O)C(C)C
Compound: Nostosin F
SMILES: O=C(N[C@H](CO)CCCN=C(N)N)C(NC(=O)C(O)CCC1=CC=C(O)C=C1)C(C)C
Compound: Duotap-520
SMILES: O=C1C(=O)C(=C(O)C(=C1/C=C/C2=CC=CC=C2)C3=C(O)C(=C(O)C=C3/C=C/C4=CC=CC=C4)C(C)C)C(C)C
Compound: (1R,2S,4R,5R,8R,9S,11S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4Z)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
SMILES: O=C(O[C@@H]1[C@H](OC)[C@H](O[C@H]([C@H]1O)OC[C@]23[C@@]4(C(C(C)C)=C[C@@H]2C[C@]4(C=O)[C@@H]5CC[C@H]([C@H]5C3)C)C(=O)O)C)/C(=C\C=C/C)/C
Compound: Periconiasin A
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3CC(C)=CC[C@@H](C1)O)C)CC(C)C
Compound: Kinafluorenone
SMILES: O=C1C2=C(O)C3=C(OC)C=CC=C3C(=C2C4=C1C=C(C)C=C4O)O
Compound: Ochraceopone F
SMILES: O=C1OC(=C(C)C2=C1C[C@@H]3[C@@]4([C@](O)(C(C(=O)CC4)(C)C)CC[C@]3(O2)C)C)C
Compound: Curvulide A
SMILES: O=C1O[C@@H](CCC(O)C2C(C=C1)O2)C
Compound: Carbocyclinone-534
SMILES: O=C1C2=C(C(=O)C(=C1C(C)C)C)C3[C@@H](C4=CC=CC=C4)C56C2(C(=O)C(=C(O)C5=O)C(C)C)C6[C@H]3C7=CC=CC=C7
Compound: Didymellamide B
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)[C@H]3[C@H]4[C@H](C=C[C@H]3C)C[C@H](C)CC4)O
Compound: Nostosin B
SMILES: O=C(N[C@H](CO)CCCN=C(N)N)[C@@H](NC(=O)C(O)CCC1=CC=C(O)C=C1)[C@@H](CC)C
Compound: Milbemycin alpha22
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)[C@H]5OC4)COC(=O)CC)O)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Mycestericin E
SMILES: O=C(O)[C@@](N)([C@H](O)CC/C=C/CCCCCCC(=O)CCCCCC)CO
Compound: Bacillibactin B
SMILES: O=C(NCC(=O)N[C@H](C(=O)O[C@@H]([C@H](NC(=O)CNC(=O)C1=C(O)C(O)=CC=C1)C(=O)O)C)[C@H](OC(=O)[C@@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)[C@H](O)C)C)C3=C(O)C(O)=CC=C3
Compound: Penicibrocazine A
SMILES: S([C@@]12N(C(=O)[C@@H]3C[C@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C
Compound: Decytospolide A
SMILES: O=C(C[C@@H]1O[C@@H]([C@@H](O)CC1)CCCCC)CC
Compound: Nostosin A
SMILES: O=C(N[C@H](C=O)CCCN=C(N)N)[C@@H](NC(=O)C(O)CCC1=CC=C(O)C=C1)[C@@H](CC)C
Compound: Necroxime A
SMILES: O=C1O[C@H](C[C@@H](OC(=O)[C@@H](NC(=O)C[C@H](O)C)CCCCN)[C@H]2O[C@H]2[C@H](C=CC=3C1=C(O)C=CC3)O)CC=CNC(=O)C=CC=NOC
Compound: Bacillibactin C
SMILES: O=C(NCC(=O)N[C@H](C(=O)O)[C@H](OC(=O)[C@@H](NC(=O)CNC(=O)C1=C(O)C(O)=CC=C1)[C@H](O)C)C)C2=C(O)C(O)=CC=C2
Compound: (3R*,4S*)-6,8-Dihydroxy-3,4,7-trimethylisocoumarin
SMILES: O=C1O[C@@H]([C@@H](C)C=2C1=C(O)C(=C(O)C2)C)C
Compound: Aspergilol F
SMILES: O=C(O)C1=CC(OC2=C(O)C(O)=CC(=C2)C)=C(O)C(=C1)O
Compound: Necroxime B
SMILES: O=C1O[C@H](C[C@@H](OC(=O)[C@@H](NC(=O)CCC)CCCCN)[C@H]2O[C@H]2[C@H](C=CC=3C1=C(O)C=CC3)O)CC=CNC(=O)C=CC=NOC
Compound: Trichormamide B
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)[C@@H](O)C(C)C)=O)CCO)=O)[C@@H](O)C(C)C)=O)[C@H](CC)C)=O)CCCCCCC)[C@H](O)C)CC3=CC=C(O)C=C3)CCC2)[C@H](O)C)CO)[C@H](CC)C)C
Compound: Soraphinol A
SMILES: O=C([C@@H](O)CC=1C2=C(C=CC=C2)NC1)CC3=CC=C(O)C=C3
Compound: Illudadiene B
SMILES: O[C@]1(C2(C(=CC=3[C@@H]1C[C@@](CO)(C)C3)C)CC2)C
Compound: Tanzawaic acid X
SMILES: O=C(O)C=CC=CC1=C2C(=CC=C1C)C[C@@H](CO)C[C@H]2C
Compound: (Z)-4-hydroxymethyl-2-(1-hexenyl)-2-butenolide
SMILES: O=C1O[C@@H](CO)C=C1/C=C\CCCC
Compound: Gillusdin
SMILES: ClC1=C(O)C(Cl)=C2O[C@]3(C(C2=C1C)=O)C(OC)=C(O)C(=O)C=C3C(=O)OC
Compound: Necroxime C
SMILES: O=C1O[C@H](C[C@@H](O)[C@H]2O[C@H]2[C@H](C=CC=3C1=C(O)C=CC3)O)CC=CNC(=O)/C=C/C=NOC
Compound: Trichormamide A
SMILES: O=C1N2[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)[C@H](CC)C)=O)CC(C)C)=O)CC4=CC=C(O)C=C4)=O)CO)=O)CO)CO)CCCCCCC)CCC2
Compound: 18-Deoxy-18-dihydrospiramycin
SMILES: O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H](C(C1)O)OC)OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3O)N(C)C)C)CC)C)C
Compound: Tanzawaic acid S
SMILES: O=C(O)C=CC=C[C@H]1C(=C[C@@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)CO)C)C
Compound: 11-methyl-2-tridecanone
SMILES: O=C(CCCCCCCC[C@H](CC)C)C
Compound: Necroxime D
SMILES: O=C1O[C@H](C[C@@H](O)[C@H]2O[C@H]2[C@H](C=CC=3C1=C(O)C=CC3)O)CC=CNC(=O)/C=C\C=NOC
Compound: Autumnalamide
SMILES: O=C1N2[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC3=CC=CC=C3)=O)CCCNC(=NCC=C(C)C)N)=O)CC4=CC=CC=C4)=O)CC(=O)O)CC(C)C)CCC2
Compound: methyl 2-[(7-hydroxy-4,6-dimethyl-1-oxo-3H-2-benzouran-5-yl)oxy]acetate
SMILES: O=C1OCC=2C1=C(O)C(=C(OCC(=O)OC)C2C)C
Compound: Spiciferone B
SMILES: O=C1C2=C(OC(=C1C)CO)[C@](C(=O)C=C2)(CC)C
Compound: Tanzawaic acid T
SMILES: O=C(O)/C=C/C=C/[C@H]1C(=C[C@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Compound: Grifolinol
SMILES: O=C(O)C1=C(O)C(=C(O)C=C1C)C/C=C(/CCC[C@](O)(CCC=C(C)C)C)\C
Compound: Companeramide A
SMILES: O=C1O[C@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2[C@H](C(N([C@H](C(N[C@H](C(N([C@H](C(N[C@@H]([C@@H]1C)CCCC#C)=O)C(C)C)C)=O)C)=O)CC(C)C)C)=O)CCC2)[C@@H](CC)C)C(C)C)C)[C@@H](CC)C)C)C)C(C)C
Compound: Cacaoidin
SMILES: S1C=CNC(=O)CNC(=O)[C@@H](NC([C@H](NC([C@H](NC([C@@H]([C@@H]1C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NCC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2NC(=O)C3N(C(=O)[C@H](NC(=O)C(NC([C@@H](CSC2)N(C)C)=O)=C)C)CCC3)CC)[C@H](CC)C)CC4=CC=C(O[C@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O[C@H]6O[C@H]([C@@H](O)[C@@H]([C@@H]6O)O)C)C)C=C4)C)C)C(C)C)C)C)C)[C@@H](CC)C)C)C)=O)C)=O)CO)=O)CC=7C8=C(C=CC=C8)NC7
Compound: Verticilactam
SMILES: O=C1NCC(C=CC=CC=C([C@H]2[C@@H]3[C@H](CC(C1)=O)O[C@H]4[C@@H](O)C[C@H]([C@H]([C@@H]34)C=C2)O)C)C
Compound: Speradine D
SMILES: O=C1N(C=2C=CC=C3C2[C@]1(O)[C@@H]4C(=O)N(C(=O)CC(=O)C)C([C@@H]4C3)(C)C)C
Compound: Tanzawaic acid U
SMILES: O=C(O)C=CC=C[C@H]1C(=C[C@@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Compound: Stephanosporin
SMILES: ClC1=C(O)C(NNC(=O)CCC(=O)O)=CC(=C1)[N+](=O)[O-]
Compound: Companeramide B
SMILES: O=C1O[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2[C@H](C(N([C@@H](C(N[C@H](C(N([C@H](C(N[C@@H]([C@@H]1C)CCCC#C)=O)C(C)C)C)=O)C(C)C)=O)C)C)=O)CCC2)[C@@H](CC)C)C(C)C)C)C(C)C)C)C)C(C)C
Compound: Marinacarboline J
SMILES: O=C1N2C(C(=O)N([C@@]2(O)C)CCC3=CC=CC=C3)=CC4=C1N(C=5C=CC=CC45)C
Compound: Virgatolide A
SMILES: O=C1O[C@H]([C@@H](O)C)C=2C1=C(O)C3=C(O[C@@]4(O[C@H](C[C@]5(C4)OC(=O)[C@@H](C5)O)C)[C@H](C3)C)C2
Compound: Zythiostromic acid A
SMILES: O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@H]3[C@H]([C@H](C(=C)CC3)C=C)C[C@H]2O)(CC[C@H]1O)C)C
Compound: Altersolanol D
SMILES: O=C1C2=C(OC)C=C(O)C=C2C(=O)C3=C1[C@H](O)[C@@H](O)[C@]([C@@H]3O)(O)C
Compound: Marinacarboline I
SMILES: O=C1N2C(C(=O)N([C@@]2(OC)C)CCC3=CC=CC=C3)=CC4=C1N(C=5C=CC=CC45)C
Compound: Tanzawaic acid V
SMILES: O=C(O)C=CC=C[C@]1(O)[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@](O)(C)C[C@H]2C
Compound: Molabetaamide
SMILES: O=C/1N[C@@H]2C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(O[C@@H]([C@@H](C(N\C1=C/C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC)C)[C@H](O)C)C)=O)C(C)C)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4)[C@H](O)CC2
Compound: Echoside A
SMILES: O=C(OC)[C@H]1O[C@@H](OC2=C(O)C(=C(O)C=C2C3=CC=CC=C3)C4=CC=CC=C4)[C@H](O)[C@H]([C@@H]1O)O
Compound: Dictyopanine C
SMILES: O=C1C=C2[C@@H](OC(=O)/C=C/C=C/C(=C/C(CC)C)/C)CC[C@H]([C@@]2([C@H]1CC(C=O)=C)C)C(=O)O
Compound: 21-hydroxylanosta-7 : 9( 11) -24-trien-3-one
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](CO)CCC=C(C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Tanzawaic acid W
SMILES: O=C(O)C=CC=C[C@@]1(O)[C@](O)(C=C[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Compound: Cyanogramide D
SMILES: O=C1N2C(C(=O)N([C@@]2(OC)C)C=CC3=CC=CC=C3)=CC4=C1N(C=5C=CC=CC45)C
Compound: Nostocyclopeptide M1
SMILES: O=C1N2C(C(=O)NC(C=NC(C(=O)NC(C(N[C@@H](C(N3[C@H](C(N[C@H]1C(C)C)=O)CCC3)=O)CCO)=O)CC4=CC=C(O)C=C4)CC5=CC=C(O)C=C5)CC6=CC=C(O)C=C6)C[C@@H](C2)C
Compound: Tricladolide B
SMILES: O=C1OC(=O)C(=C1/C=C/CCC/C=C/CO)C
Compound: Ascotrichalactone A
SMILES: O=C1O[C@@H](CC(=O)O[C@@H](CC2=C(C(=O)O[C@@H](CC(=O)O[C@@H](CC=3C(C(O[C@@H](CC(CC=4C1=C(O)C=C(O)C4)=O)C)=O)=C(O)C=C(O)C3)C)C)C(O)=CC(=C2)O)C)C
Compound: 2,3,4,5-tetramethoxybenzoyl chloride
SMILES: ClC(=O)C1=C(OC)C(OC)=C(OC)C(=C1)OC
Compound: Rhizolutin
SMILES: O=C1O[C@H]2C=C([C@@H]3[C@H](C(=O)O[C@H](C3)CC)C=C(C=C[C@@H]2C[C@@H](C1)O)C)C
Compound: Asperphenone A
SMILES: O=C1C(OC)=C(O)C(=O)C(=C1CC2=C(O)C(C(=O)C)=CC=C2O)C
Compound: Lyngbyabellin A
SMILES: ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@@H](NC(=O)CNC(C=3N=C([C@@H](OC(C1(C)C)=O)C(O)(C)C)SC3)=O)[C@H](CC)C)SC2)C
Compound: Ikarugamycin epoxide
SMILES: O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=CC3C(CC=C1)C4C(C5C(C(CC)C(C5)C)C6C4O6)C3
Compound: 4-(4-hydroxyphenethoxy)-4-oxobutanoic acid
SMILES: O=C(OCCC1=CC=C(O)C=C1)CCC(=O)O
Compound: Gladiofungin A
SMILES: O=C1NC(=O)CC(C1)C[C@@H](O)CC(=O)[C@H](/C=C/CCCCCCCCC(=O)C=2C(=O)OC(C2C)O)C
Compound: Asperphenone B
SMILES: O=C1C(=O)C=C(CC2=C(O)C(C(=O)C)=CC=C2O)C(=C1C)O
Compound: Kutzneride 9
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(N=CCC5)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)(C)C)=O)COC)[C@@H](O)CC(=O)O
Compound: Ankaraholide A
SMILES: O=C1O[C@@H]([C@H]([C@H](O)C[C@H](O)C[C@@H](OC)C[C@H]2O[C@@H](C=CC2)C[C@@H](O[C@H]3OC[C@H](O)[C@H]([C@H]3OC)OC)CC=C(C=CC(=O)O[C@@H]([C@H]([C@@H](C[C@@H](C[C@H](C[C@H]4O[C@H](C[C@H](CC=C(C=C1)C)O[C@H]5OC[C@H](O)[C@H]([C@H]5OC)OC)C=CC4)OC)O)O)C)[C@H]([C@@H](O)[C@H](CC[C@@H]6O[C@H](C[C@H](C6)OC)C)C)C)C)C)[C@H]([C@@H](O)[C@H](CC[C@@H]7O[C@H](C[C@H](C7)OC)C)C)C
Compound: Pseudomonic acid-C amide
SMILES: O=C1NCCCC1NC(=O)CCCCCCCOC(=O)/C=C(/C[C@@H]2OC[C@H](C/C=C/[C@H]([C@@H](O)C)C)[C@H]([C@H]2O)O)\C
Compound: Penicitrinol O
SMILES: O=C(O)C1=C2O[C@]3(O)[C@@H](CCCC3)[C@@H]4C2=C([C@@H]([C@@H](C)O4)C)C(=C1O)C
Compound: Asperphenone C
SMILES: O=C(OC)[C@@H](OC)C=CC1=C(O)C(C(=O)C)=CC=C1O
Compound: Gladiofungin B
SMILES: O=C1NC(=O)CC(C1)C[C@@H](O)CC(=O)[C@H](/C=C/C=C/CCCCCCC(=O)C=2C(=O)OC(C2C)O)C
Compound: Thiersindole C
SMILES: O[C@@H]1[C@](C2=C([C@@]([C@@H](C)CC2)(CC=3C4=C(C=CC=C4)NC3)C)CC1)(CCC=C(C)C)C
Compound: Kurstakin 3
SMILES: O=C1OCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CCCCCCCCC(C)C)C(O)C)C)C(=O)NC(CC2=NC=CN2)C(NC(C(NC1CCC(=O)N)=O)CCC(=O)N)=O
Compound: Ankaraholide B
SMILES: O=C1O[C@@H]([C@H]([C@H](O)C[C@H](O)C([C@@H](OC)C[C@H]2O[C@@H](C=CC2)C[C@@H](O[C@H]3OC[C@H](O)[C@H]([C@H]3OC)OC)CC=C(C=CC(=O)O[C@@H]([C@H]([C@@H](C[C@@H](C[C@H](C[C@H]4O[C@H](C[C@H](CC=C(C=C1)C)O[C@H]5OC[C@H](O)[C@H]([C@H]5OC)OC)C=CC4)OC)O)O)C)[C@H]([C@@H](O)[C@H](CC[C@@H]6O[C@H](C[C@H](C6)OC)C)C)C)C)C)C)[C@H]([C@@H](O)[C@H](CC[C@@H]7O[C@H](C[C@H](C7)OC)C)C)C
Compound: Vancoresmycin
SMILES: O=C1N(/C(=C\C(C)C)/C(C1=C(O)/C(=C/CC(O)CC(O)CCC(C(O)C(C(O)CCCC(O)C(C(O)/C(=C/C(C(=O)/C(=C/C(O)C(O)CC(O)CC(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)C(CCC(O)CC(O)CCC(C(O)C(C(O)C(C)C)C)C)C)/C)C)/C)C)C)C)/C)=O)C
Compound: Omphalotin I
SMILES: O=C1N([C@H](C(=O)N(C(OC(=O)C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N2[C@@H]3N(O)C=4C=CC=CC4[C@]3(O)C[C@H]2C(=O)N([C@H](C(N[C@H](C(N([C@H](C(N([C@H](C(N(CC(N([C@@H]1C(O)(C)C)C)=O)C)=O)C(C)C)C)=O)C(C)C)C)=O)C(CC)C)=O)C(C)C)C)C)[C@H](CC)C)C)C(C)C)C)[C@H](C(OC(=O)CC(O)(C)C)C)C)C
Compound: Gladiostatin
SMILES: O=C1NC(=O)CC(C1)CC(O)CC(=O)C(/C=C/CCCCCCCCC(=O)C=2C(=O)OC(C2C)O)C
Compound: Dichlorodiaportintone
SMILES: ClC(Cl)[C@]1(OC(=O)[C@@H](C1)O)CC=2OC(=O)C=3C(O)=CC(=CC3C2)OC
Compound: Cyafrin A5
SMILES: O1C2(O)[C@]3([C@@H](C4=C(C(C)C)C[C@H]([C@]4(C)CC3)O)C[C@@H]1[C@]5(CO)[C@H]2O5)C
Compound: Alotamide A
SMILES: S1C2=N[C@H](C1)C(=O)N([C@H](C(=O)OC(CC(C)=CC=CCC(C=C(C(N3[C@H]2CCC3)=O)C)C)CC(OC)C)C(C)C)C
Compound: Isochromophilone XI
SMILES: ClC=1C(=O)C(OC(=O)/C=C(/CC(=O)O)\C)(C(=O)C2(C1C=C(OC2)C=C/C(=C/C(CC)C)/C)O)C
Compound: Mycosphine B
SMILES: O=C1C(OC)=C(C(=CNCCO)C([C@@]1(CC)C)=O)[C@H](CC)C
Compound: Desmethyldichlorodiaportintone
SMILES: ClC(Cl)[C@]1(OC(=O)[C@@H](C1)O)CC=2OC(=O)C=3C(O)=CC(=CC3C2)O
Compound: Aureobasidin T2
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(N([C@H]1C(O)(C)C)C)=O)CC(C)C)=O)CC(C)C)C)=O)[C@@H](CC)C)=O)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@@H](CC)C
Compound: Bipolamine A
SMILES: O[C@H]1[C@H](O)CC2=CC=C(N2[C@@H]1C)C
Compound: Bisebromoamide
SMILES: BrC1=C(O)C=CC(=C1)C[C@@H](N(C(=O)[C@@H](NC(=O)C(C)(C)C)C)C)C(=O)N2[C@H](C=3SC[C@](N3)(C(=O)N[C@@H](C(=O)N([C@H](C(=O)N4[C@H](C(=O)CC)CCC4)CC5=CC=CC=C5)C)CC(C)C)C)C[C@@H](C2)C
Compound: 9,ll-dihydroxy-6-oxodrim-7-ene
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)O)C
Compound: Abscisterol E
SMILES: O[C@H]1[C@@]2([C@@H]3C(=CC[C@H]2C[C@H](C1)O)[C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)C
Compound: Solonamide A
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)C)=O)CC(C)C)CC2=CC=CC=C2)CCC
Compound: Desmethyldichlorodiaportinol
SMILES: ClC(Cl)[C@@H](O)[C@@H](O)C=1OC(=O)C=2C(O)=CC(=CC2C1)O
Compound: Bipolamine D
SMILES: O1[C@@]2([C@@H](O)CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C
Compound: Puwainaphycin F
SMILES: O=C/1N[C@H](C(=O)N/C(/C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(N2[C@H](C(NC(C(C(N[C@H](C(N\C1=C\C)=O)C(C)C)=O)O)C(CCCCCCCCCC)C)=O)CCC2)=O)CC(=O)N)C)[C@@H](O)C)C)CC(=O)N)=C/C)CC(=O)N
Compound: Cytospolide E
SMILES: O=C1O[C@@H]([C@@H](O)CCC=C[C@H]([C@@H]1C)O)CCCCC
Compound: Malabetaeziacitrin
SMILES: O=C1O[C@@H]2[C@@H](C=3NC4=C(C3C2=C1C=5C6=C(C=CC=C6)NC5)C=CC=C4)C=7C8=C(C=CC=C8)NC7
Compound: 9,10-dihydro-(6R,11R,12R,14R)-colletodiol
SMILES: O=C1O[C@@H](C[C@@H](O)[C@H](O)CCC(O[C@@H](CC=C1)C)=O)C
Compound: Chaephilone C
SMILES: ClC=1C(=O)[C@@](O)([C@H]2C=3C(=O)O[C@@H]([C@@H](C3O[C@@]42C1C=C(O[C@@H]4O)/C=C/[C@H](CC)C)C)C)C
Compound: Puwainaphycin G
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)NC(C(C(N[C@H](C(N\C(\C(N[C@H](C(N\C1=C\C)=O)CCC(=O)N)=O)=C\C)=O)C(C)C)=O)O)C(CCCCCCCCCC)C)CCC2)CC(=O)N)C)[C@@H](O)C)C)CC(=O)N
Compound: 1-epi-isariotin A
SMILES: O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCCCCO)O
Compound: Xylindein
SMILES: O=C1O[C@H](CC=2C1=C(O)C3=C4C5=C6C7=C(C8=C(C(=O)O[C@H](C8)CCC)C(=C7C(C=C6OC24)=O)O)OC5=CC3=O)CCC
Compound: Geoxantether B
SMILES: O1C2=C(C=C(C)C=C2COCC3=C(O)C=CC(=C3)C)CC4=C1C=CC(=C4)C
Compound: Bipolamine G
SMILES: O1[C@@]2([C@H](O)[C@@H](OC)C3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C
Compound: Chaetoviridide A
SMILES: ClC1=C2C(C3=C(C(=O)[C@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(NC(=O)C4=CC=C(O)C=C4)C(=C2)C=C[C@H](CC)C
Compound: Muscotoxin A
SMILES: O=C/1N[C@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)NC(C(O)C(=O)N[C@@H](C(=O)NCC(N3[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N\C1=C\C)=O)CO)=O)[C@H](CC)C)=O)CC4=CC=CC=C4)=O)CCC3)=O)CCC(=O)N)CC(O)CCCCC)CCC2)[C@H](CC)C)CO
Compound: Brasilamide E
SMILES: O=C(N)/C(=C/C=1OC=C(C1)C2CCC(=C)CC2)/C
Compound: A-47934
SMILES: ClC1=C(O)C=2C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@H]4NC([C@@H](C(=C1)C2)NC(=O)[C@@H]5NC(=O)[C@H]6NC(=O)[C@H](NC(=O)[C@H](N)C=7C=CC(=C(OC=8C=C6C=C(O)C8)C7)OS(=O)(=O)O)CC9=CC(=C(OC%10=CC5=CC(OC%11=C(C=C([C@H]4O)C=C%11)Cl)=C%10O)C=C9)Cl)=O)C(=O)O
Compound: Haplofungin H
SMILES: O=C(OC(C(O)C(O)C(=O)O)CO)C(C(=O)/C(=C/C(CC(CCCC(O)C(O)CCCCCCCCCCC)C)C)/C)C
Compound: Bipolamine I
SMILES: O1[C@H]2[C@H]3N4C(=CC=C4C[C@@H]1[C@H]([C@@H](O)C)[C@H]3C5=CC=C(N5[C@@H]2C)C)C
Compound: Chaetoviridide C
SMILES: ClC1=C2C(C3=C(C(=O)CC)C(O[C@@]3(C1=O)C)=O)=CN(CCOCCO)C(=C2)C=C[C@H](CC)C
Compound: Muscotoxin B
SMILES: O=C/1N[C@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)NC(C(O)C(=O)N[C@@H](C(=O)NCC(N3[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N\C1=C\C)=O)CO)=O)[C@H](CC)C)=O)CC4=CC=CC=C4)=O)CC(C)C3)=O)CCC(=O)N)CC(O)CCCCC)CCC2)[C@H](CC)C)CO
Compound: Nodulisporin C
SMILES: O=C1C2=C(C(=O)O)C=CC(=C2CC1)C3=C4C(=C(C(=O)O)C=C3)C(=O)CC4
Compound: Eujavanoic acid A
SMILES: O=C1C=C2[C@H](CC[C@@H](C2)O)[C@H]([C@H]1C)CCC(=O)O
Compound: Bagremycin A
SMILES: O=C(OC1=CC=C(C=C)C=C1)C2=CC(N)=C(O)C=C2
Compound: Bipolamine B
SMILES: O[C@H]1[C@@H](O)CC2=CC=C(N2[C@@H]1C)C
Compound: Chaetoviridide B
SMILES: ClC1=C2C(C3=C(C(=O)[C@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(CCOCCO)C(=C2)C=C[C@H](CC)C
Compound: Sphaerocyclamide
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC3=CC=CC=C3)=O)CC4=CC=C(OCC=C(C)C)C=C4)=O)CO)=O)C(C)C)CCC(=O)N)C)CCC2
Compound: Aspercyclide A
SMILES: O=C1O[C@H]([C@@H](O)C=CC=2C(=C(O)C=CC2OC3=CC1=C(C=C3)C)C=O)CCCCC
Compound: Resistoflavine
SMILES: O=C1C2=C(O)C=C(O)C3=C2[C@]4(O)C(=CC(C5=C4C1=C(O)C=C5C)=O)C(C3=O)(C)C
Compound: Bipolamine C
SMILES: O=C1C=C2C=C[C@]3([C@@H](O)C)[C@@H]4[C@H](N2[C@@]1(O)C)[C@H](O3)[C@@H](C)N5C4=CC=C5C
Compound: Arundinol A
SMILES: O[C@]([C@@H]1CC2=C(CC[C@@H]([C@@]2(C)CC1)O)C)(CO)C
Compound: Lactomycin A
SMILES: O=C1O[C@@H](/C=C/[C@@](O)([C@H](O)C[C@@H](O)/C=C\C=C/[C@H]2C[C@@H](O)CCC2)CCO)[C@@H](CC)C=C1
Compound: 1-(2′-Hydroxy-4′-methoxy-5′-hydroxymethylphenyl)-E-4-hexen1-one
SMILES: O=C(C1=C(O)C=C(OC)C(=C1)CO)CC/C=C/C
Compound: Oscillacyclamide A
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(NCC(N[C@@H](C4=NC(C(N[C@@H](C(N[C@@H]2C(C)C)=O)C(C)C)=O)=CS4)CC(=O)O)=O)=O)CC=5C6=C(C=CC=C6)NC5)=O)[C@@H](OCC=C(C)C)C)=O)CC(=O)N)=O)CO)C)CC7=CC=C(O)C=C7)CCCCN)CC(=O)O)CC=8C9=C(C=CC=C9)NC8
Compound: Ferintoic acid A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=CC=C5)C)C
Compound: Bipolamine E
SMILES: O1[C@@]2([C@H](O)CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C
Compound: 4''-Deoxyisoterprenin
SMILES: O(C1=C(O)C=CC(=C1)C2=C(O)C(OC)=C(C3=CC=CC=C3)C=C2OC)CC=C(C)C
Compound: Lactomycin B
SMILES: O=C1O[C@@H](/C=C/[C@@](O)([C@H](O)C[C@@H](O)/C=C\C=C/[C@H]2C[C@@H](O)CCC2)CCN)[C@@H](CC)C=C1
Compound: MJ347-81F4-A
SMILES: S1C/2=NC(=C1)C(=O)NC3C=4SC=C(N4)C(=O)NC(C=5SC=C(C6=C(C7=NC(C(NC(C(N\C2=C(\OC)/C)=O)C(O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10COC3C(OC%11OC(C(N(C)C)C(C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9O)=O