MonarchInit/C3PO huggingface dataset:
Compound: Tryptoquivaline U
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)O[C@@]4(C3)C5=C(C=CC=C5)N6[C@@H]4NC(C)(C)C6=O
Compound: 6-chloro-3,8-dihydroxy-1-methylxanthone
SMILES: ClC1=CC=2OC3=C(C(=CC(=C3)O)C)C(C2C(=C1)O)=O
Compound: KS-504D
SMILES: ClC(Cl)=C1C(Cl)(Cl)C(O)C(C1(O)C(Cl)Cl)(Cl)Cl
Compound: Stachybonoid C
SMILES: O=CC1=C2O[C@](C=CC2=C(O)C=C1C)(CC/C=C(\CC[C@@H](O)C(O)(C)C)/C)C
Compound: Tolypocladin L
SMILES: O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC=C(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C=C(C)C)O4)(C)C
Compound: Palmarumycin LP1
SMILES: O=C1C2=C(O)C=CC(=C2[C@]3(OC=4C=5C(C(O)=CC4)=CC=CC5O3)[C@@H](C1)O)O
Compound: (1S,3aR)-jadomycin F
SMILES: O=C1C=2N3[C@H](OC([C@@H]3CC4=CC=CC=C4)=O)C=5C=C(C)C=C(C5C2C(=O)C=6C1=C(O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O)C)C=CC6)O
Compound: (R)-3-(3'-acetyl-2',6'-dihydroxy-5'-methylphenyl)-2-methylpropionic acid methyl ester
SMILES: O=C(OC)[C@@H](CC1=C(O)C(C(=O)C)=CC(=C1O)C)C
Compound: 6-O-methyl-D-glucose
SMILES: [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC
Compound: (+)-Isoconiochaetone C
SMILES: O=C([C@@H](C1=C(C(O)=CC(=C1)O)C)C)C
Compound: 2-bromogentisyl alcohol
SMILES: BrC1=C(O)C(=CC(=C1)O)CO
Compound: Stachybonoid D
SMILES: O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C(=C(CO)C=C(C4C3)O)C=O)[C@H](C)CC2)(C)C[C@@H]1OC(=O)C)(C)C)C
Compound: Mucorisocoumarin B
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)C[C@@H](O)C[C@@H](O)C
Compound: Penicilliode A
SMILES: O=C(O[C@@H]([C@H](C1=C(C(O)=CC(=C1)O)C)C)C)C
Compound: Acremonoxide
SMILES: O=C1C=C[C@H](O)[C@]2([C@@]1(O2)C(=O)C3=C(O)C=C(C)C=C3O)C(=O)OC
Compound: Coniothyren
SMILES: O(C1=CC(=CC=C1)CO)C2=CC=C(CCO)C=C2
Compound: Stachybonoid E
SMILES: O=C1N(CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3)CC(=O)OC
Compound: 6-dehydroxy-6alpha-bromogabosine C
SMILES: Br[C@@H]1C(=O)C(=C[C@H]([C@H]1O)O)CO
Compound: Marformycin D
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC=O)[C@@H](CC)C)C(=O)N[C@@H](C(=O)N[C@H]([C@H](CC)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)=O)C[C@H](O)CN2)=O)CC3=CC=C(OC)C=C3)C
Compound: (-)-Penicilliode B
SMILES: O=C([C@H](C1=C(C(O)=CC(=C1)O)C)C)C
Compound: Oridamycin B
SMILES: O=C(O)[C@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)NC4=C3)C)CO
Compound: Diorcinol D
SMILES: O(C1=C(C(=CC(=C1)O)C)CC=C(C)C)C2=CC(O)=CC(=C2)C
Compound: Stachybonoid F
SMILES: O=C1N(CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3)CCCC(=O)OC
Compound: 6-dehydroxy-6beta-bromogabosine C
SMILES: Br[C@H]1C(=O)C(=C[C@H]([C@H]1O)O)CO
Compound: Stereumin O
SMILES: O1[C@H]2C(=CC[C@H]3[C@H]2[C@]4(OC(C)(C)O[C@H]4C[C@@H]3C)[C@@H](C1)CO)C
Compound: (+)-Penicilliode C
SMILES: O=C1C(=C(OC(=C1C)C)[C@H](C(=O)C)C)C
Compound: Trichodermamide D
SMILES: O=C1OC2=C(OC)C(OC)=CC=C2C=C1NC(=O)C3=NO[C@H]4[C@H](O)[C@H](O)C=C[C@]4(C3)O
Compound: 11-desacetoxywortmannin
SMILES: O=C1O[C@@H]([C@@]2(C3=C([C@H]4[C@](C(=O)CC4)(C)CC3)C(C5=C2C1=CO5)=O)C)COC
Compound: 14-(2',3',5'-Trihydroxyphenyl)tetradecan-2-ol
SMILES: OC1=C(O)C=C(O)C=C1CCCCCCCCCCCC[C@@H](O)C
Compound: Bagremycin C
SMILES: S(C1=C(N)C(O)=CC=C1C(=O)OC2=CC=C(C=C)C=C2)C[C@@H](NC(=O)C)C(=O)O
Compound: (-)-Isopenicilliode C
SMILES: O=C1C(=C(OC(=C1C)C)[C@@H](C(=O)C)C)C
Compound: Erinaceolactone B
SMILES: O=C1OCC2=C1C=C([C@@H](O)C)C(=C2)O
Compound: Malleilactone
SMILES: O=C/1OC(C(=O)CC)=C\C1=C(\O)/C(=C/CCCCCCC)/C
Compound: KS-619-1
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)C)C=C4CC3)C(=O)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Trichodermamide E
SMILES: O=C1OC2=C(OC)C(OC)=CC=C2C=C1NC(=O)C3=NO[C@H]4[C@H](O)[C@H](O)CC[C@]4(C3)O
Compound: (-)-Isoconiochaetone B
SMILES: O=C1C2=C(OC3=C1[C@@H](O)CC3)C=C(C)C=C2O
Compound: Bagremycin D
SMILES: SC1=C(N)C(O)=CC=C1C(=O)OC2=CC=C(C=C)C=C2
Compound: Spumigin B1
SMILES: O=C(N[C@H](C(=O)O)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)C[C@H](C1)C
Compound: (1S,2S,4R,5R,7R,10R)-guaiane-2,4,10,11,12-pentaol
SMILES: O[C@]1([C@H]2[C@H]([C@@](O)(C)C[C@@H]2O)C[C@@H](CC1)C(O)(CO)C)C
Compound: Phomapentenone A
SMILES: O=C1C(=C[C@H]([C@@H]1C(O)CCC)CC(O)CC)C
Compound: Trichodermamide F
SMILES: O=C1OC2=C(OC)C(OC)=CC=C2C=C1N(C(=O)C3=NO[C@H]4[C@H](O)[C@H](O)C=CC4=C3)C
Compound: 3,4-dimethoxyphenyl alpha-D-ribofuranoside
SMILES: O1[C@H](OC2=CC(OC)=C(OC)C=C2)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Bagremycin E
SMILES: O=C(OC1=CC=C(C=C)C=C1)C2=CC=C(O)C=C2
Compound: 7-acetyl-4-methylazulene-1-carbaldehyde
SMILES: O=C(C1=CC=2C(C=CC2C=O)=C(C=C1)C)C
Compound: Pyripyropene S
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: 5',6'-dihydroxyacetosellin
SMILES: O=C1C2=C(C=3C(=CC(=C4C3[C@@]1(OC4=O)C)O)/C=C/C=C/C(O)C(O)C)C[C@@H](CO)OC2
Compound: Thiomuracin I
SMILES: S1C2=NC(=C1C)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C(=O)N4[C@@H]([C@@H](C)C[C@@H]4O)C5=NC(C6=NC(C7=C(C8=NC(C(N[C@H]2CC(=O)N)=O)=CS8)C=CC(=N7)C=9SC=C(N9)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=CS6)=CS5)CC%10=CC=C(O)C=C%10)[C@H](O)C%11=CC=CC=C%11
Compound: Bagrelactone A
SMILES: O=C1OC2=CC=C([C@H](O)CNC=3C=C1C=CC3O)C=C2
Compound: 3beta-(beta-D-glucopyranosyloxy)olean-12-ene-23,28,30-trioic acid
SMILES: O=C(O)[C@]12[C@H](C3=CC[C@@H]4[C@@]5([C@H]([C@](C(=O)O)([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)CC5)C)CC[C@]4([C@]3(C)CC1)C)C)C[C@](C(=O)O)(C)CC2
Compound: (2Z,4Z)-3,8,8-trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4,7-trienoate
SMILES: O\C(C([O-])=O)=C(Cl)\C=C/C(=O)C(=C(Cl)Cl)c1ccc(Cl)cc1
Compound: Salinosporamide K
SMILES: O=C1N[C@]2(C(=O)O[C@]2(C1)C)[C@@H](O)[C@@H]3C=CCCC3
Compound: (3R)-3-[3-(2-hydroxyethyl)-1H-indol-2-yl]-3-(1H-indol-3-yl)propane-1,2-diol
SMILES: OC([C@@H](C=1NC=2C=CC=CC2C1CCO)C=3C4=C(C=CC=C4)NC3)CO
Compound: Nocapyrone P
SMILES: O=C1C(=C(OC(=C1C)C(=O)CCCC(C)C)OC)C
Compound: Graphostromol I
SMILES: O=C(O)/C=C(/C=C/[C@H](O)[C@@H](C(=O)CC)C)\C
Compound: Rhytismatone A
SMILES: O=C1O[C@@H](C(=O)O)CC(C1=C(O)CCCCCCC)=O
Compound: Penicinoline E
SMILES: O=C1C2=C(NC(=C1)C=3NC=CC3)C=CC=C2
Compound: 12-Methoxycitromycin
SMILES: O=C1C2=C(OC(=C1)C)C3=C(C=C(O)C(=C3)OC)OC2
Compound: 23-O-butyrylbafilomycin D
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@@H]([C@H](OC(=O)CCC)C(C)C)C)C)C
Compound: Cytochalasin Z26
SMILES: O=C1OC=C[C@H](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(=C2)C)CC4=CC=C(O)C=C4)C
Compound: Graphostromol J
SMILES: O=C(O)CC(/C=C/[C@H](O)[C@@H](C(=O)CC)C)C
Compound: Rhytismatone B
SMILES: O=C1O[C@@H](C(=O)OC)CC(C1=C(O)CCCCCCC)=O
Compound: MC-WAba
SMILES: O=C1N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC)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)C)CC=3C4=C(C=CC=C4)NC3)C
Compound: Cottoquinazoline A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C4N5[C@H]6N(C([C@@H]5C)=O)C7=C([C@@]6(CC2C(=O)N4)O)C=CC=C7
Compound: Streptoarylpyrazole A
SMILES: O=C1N(C2=C(OC)C=C(/C=C/C(=O)OC)C=C2)C=C[N+](=C1C)[O-]
Compound: 12beta-hydroxy-13alpha-methoxyverruculogen TR-2
SMILES: O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](OC)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3CC(O)(C)C)CCC2
Compound: Neomacrophorin X
SMILES: O=C1C(=O)C2=C([C@]34C(=O)C=5C=C(C)C=C(C5C([C@@]4(C2)[C@@H](O)[C@H](O)C=C3)=O)O)C(=C1C[C@H]6C(=C)CC[C@@H]7[C@@]6(CC[C@H](C7(C)C)O)C)O
Compound: Graphostromol K
SMILES: O=C([C@H]([C@@H](O)/C=C/[C@](O)([C@H](O)C)C)C)CC
Compound: BSM1
SMILES: O=C1C2=C(OC(=C1)C)C=CC=C2CC(=O)O
Compound: Penicillactone C
SMILES: O=C1O[C@@H](CCCCCC)C=C1[C@@]2(C(=O)OC)[C@]/3(C(=O)OC(\C3=C/O)=O)C[C@@H](C2)[C@H](O)[C@@H](O)C/C=C\C(=O)OC
Compound: 3-methoxyviridicatol
SMILES: O=C1NC2=C(C=CC=C2)C(=C1OC)C3=CC(O)=CC=C3
Compound: 6-oxocampestanol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C
Compound: Gephyronic acid (hemiketal-beta)
SMILES: O=C(O)C[C@@H]1O[C@@](O)(C(C)(C)[C@H]([C@@H]1C)OC)[C@H](C[C@@H]([C@H](O)[C@]2(O[C@@H]2[C@H](C=C(C)C)C)C)C)C
Compound: Ligerin
SMILES: ClC[C@]1(O)[C@@H]([C@]2(O[C@@H]2CC=C(C)C)C)[C@H](OC)[C@H](OC(=O)CCC(=O)O)CC1
Compound: Preubetailide A
SMILES: O=C1[C@H]([C@H]2C(=CC(C)=C([C@@H]2/C=C(/C=C(/C=C/C(=O)O)\C)\C)C[C@@H](O)C)C[C@H]1C)C
Compound: methyl chloroasterrate
SMILES: ClC1=C(O)C(=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C1C)C(=O)OC
Compound: Graphostromol A
SMILES: O=C(C(CO)(C)C)CC(O)/C=C/C=C/C([C@@H](O)C)(C)C
Compound: Gonytolide F
SMILES: O=C1C2=C(O[C@@](C1)(C(=O)OC)[C@H]3OC(=O)CC3)C(C4=C5O[C@@](C(=O)OC)([C@@H](O)CCC(=O)O)CC(C5=C(O)C=C4C)=O)=C(C)C=C2O
Compound: methyl 5-(1-acetamido-2-phenylethyl)uran-2-carboxylate
SMILES: O=C(OC)C=1OC([C@@H](NC(=O)C)CC2=CC=CC=C2)=CC1
Compound: Cystochromone B
SMILES: O=C1C2=C(OC(=C1)CC(=O)C)C=C(O)C=C2CCCCCCCCCCCCCC(C)C
Compound: Graphostromol B
SMILES: O=C(C(COC(=O)C)(C)C)CC(O)/C=C/C=C/C([C@@H](O)C)(C)C
Compound: 4-(2-hydroxyethyl)-5-methyloxazole
SMILES: O1C(=C(CCO)N=C1)C
Compound: Preubetailide B
SMILES: O=C(O)/C=C/C(=C/C(=C/[C@H]1C(=C(C=C2[C@@H]1[C@@H]([C@H](O)[C@@H](C2)C)C)C)CC(=O)C)/C)/C
Compound: 4''-Deoxyprenylterphenyllin
SMILES: O(C1=C(O)C(=C(OC)C=C1C2=CC=CC=C2)C3=CC(=C(O)C=C3)CC=C(C)C)C
Compound: Strepthonium A
SMILES: ClC1=C(OCCOCC[N+](CC2=CC=CC=C2)(C)C)C=CC(=C1)C(CC(C)(C)C)(C)C
Compound: Acremolide D
SMILES: O=C1N2[C@H](C(=O)OC(C(CCCCC(O)C)C)CC(C(C(N[C@@H]1C(C)C)=O)C)O)CCC2
Compound: Graphostromol C
SMILES: O=C(C(COC(=O)C)(C)C)C(O)C/C=C/C=C/C([C@@H](O)C)(C)C
Compound: 3-hydroxyl-(22E, 24R)-ergosta-5,8,14,22-tetraen-7-one
SMILES: O=C1C2=C([C@]3(CC[C@@H](CC3=C1)O)C)CC[C@]4(C2=CC[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: 2-hydroxyethyl-11-hydroxyhexadec-9-enoate
SMILES: O=C(OCCO)CCCCCCC/C=C/[C@@H](O)CCCCC
Compound: Preubetailide C
SMILES: O=C1[C@H]([C@H]2C(=CC(C)=C([C@@H]2/C=C(/C=C(/C=C/C(=O)O)\C)\C)CC(=O)C)C[C@H]1C)C
Compound: Palmarumycin C7
SMILES: ClC=1C(=O)[C@@]23O[C@@]2(C(=O)C=C[C@H]3O)C4(C1)OC=5C=6C(C=CC5)=CC=CC6O4
Compound: Stereumin L
SMILES: O=C1O[C@H]2C(=CC[C@H]3[C@H]2C(=C1C)C(=O)C[C@@H]3C)C
Compound: Graphostromol D
SMILES: O=C(C(CO)(C)C)CC/C=C/C=C/C([C@@H](O)C)(C)C
Compound: Muraymycin A4
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)C(=O)O)[C@H]([C@H]2O)O
Compound: Preubetailide D
SMILES: O=C1[C@H]([C@H]2C(=CC(C)=C([C@@H]2/C=C(/C=C(\C=C\C(=O)O)/C)\C)CC(=O)C)C[C@H]1C)C
Compound: CLP1
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(=O)OC)=O)CC(C)C)=O)CC(C)C)CCC(=O)OC)CCCCCCCCCCCCC
Compound: Neopestalotin A
SMILES: O=C1N/C(=C\C)/C(=C1C(=O)[C@@]2([C@@H](C(=C[C@H]3[C@H]2CC[C@](C3)(O)C)C)/C=C/C)C)O
Compound: Palmityl-glutinopallal
SMILES: O=C(OC)[C@@]12C3([C@@]4(OC4[C@@H]5[C@H]1CC5=C(C)C)COC3OC(=O)CCCCCCCCCCCCCCC)C2
Compound: Graphostromol E
SMILES: O=C(C(COC(=O)C)(C)C)CC/C=C/C=C/C([C@@H](O)C)(C)C
Compound: Falconensin L
SMILES: ClC1=C(O)C=C(OC)C(=C1C)C(=O)O[C@]2(C(=O)C=C3C=C(CCC)OC[C@H]3[C@@H]2O)C
Compound: Preubetailide E
SMILES: O=C1[C@H]([C@H]2C(=CC(C)=C([C@@H]2/C=C(/C=C(/C=C/C(=O)OC)\C)\C)C[C@@H](O)C)C[C@H]1C)C
Compound: 6-phospho-2-dehydro-D-gluconate(3-)
SMILES: O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)C(=O)C([O-])=O
Compound: 13-Demethoxyascomycin
SMILES: O=C1N2[C@H](C(=O)O[C@H](/C(=C/[C@H]3C[C@@H](OC)[C@H](O)CC3)/C)[C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C[C@@H](C[C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)C)C)CCCC2
Compound: CLP2
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(=O)OC)=O)CC(C)C)=O)CC(C)C)CCC(=O)OC)CCCCCCCCCCCCCC
Compound: 7,3'-di-(gamma,gamma-dimethylallyloxy)-5-hydroxy-4'-methoxyflavone
SMILES: O=C1C2=C(OC(=C1)C3=CC(OCC=C(C)C)=C(OC)C=C3)C=C(OCC=C(C)C)C=C2O
Compound: Graphostromol F
SMILES: O=C(C(C)C)CC/C=C/C=C/C([C@@H](O)C)(C)C
Compound: Botcinic acid
SMILES: O=C(O[C@H]1[C@@H](O[C@@]([C@@H](O)[C@H](C(=O)O)C)(C)[C@H]([C@@H]1C)O)C)/C=C/[C@@H](O)CCCC
Compound: Preubetailide F
SMILES: O=C1[C@H]([C@H]2C(=CC(C)=C([C@@H]2/C=C(/C=C(/C=C/C(=O)OC)\C)\C)CC(=O)C)C[C@H]1C)C
Compound: Odobromoamide
SMILES: BrC#CCCC[C@H]1OC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@H](C(C)C)OC([C@@H](N(C([C@@H](NC([C@H]1C)=O)C(C)C)=O)C)[C@H](CC)C)=O)CCC2)C)C(C)C
Compound: Lipoamicoumacin B
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2OC(=O)C[C@@H]2NC(=O)[C@@H](NC(=O)CCCCCCCCC(CC)C)CC(=O)N)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Coumabiocin A
SMILES: O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC5=C(OC(C5)C(O)(C)C)C=C4)O
Compound: Graphostromol G
SMILES: OC(C(C)C)CC/C=C/C=C/C([C@@H](O)C)(C)C
Compound: Atpenin B
SMILES: O=C1NC(OC)=C(OC)C(=C1C(=O)C(CC(CC)C)C)O
Compound: Madurastatin C1
SMILES: O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC)CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@@H]2N=C(C3=C(O)C=CC=C3)OC2
Compound: Epicoccin Q
SMILES: S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O
Compound: 3'-hydroxy-N-(2-oxo-2,5-dihydrofuran-4-yl)propionamide
SMILES: O=C1OCC(=C1)NC(=O)CCO
Compound: Graphostromol H
SMILES: O=C(O)/C=C/C([C@@H](O)C)(C)C
Compound: Natronochrome
SMILES: O=C(OC)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C1=C(C(O)=CC=C1)C
Compound: Fumaquinone
SMILES: O=C1C(OC)=C(C(=O)C2=C1C=C(O)C(=C2O)CC=C(C)C)C
Compound: 4-methoxy-2H-isoquinolin-1-one
SMILES: O=C1NC=C(OC)C2=C1C=CC=C2
Compound: 22-dehydroxymethyl-kijanolide
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O)CC=C([C@H]4[C@@](C(=C1C2=O)O)([C@H]5[C@@H]([C@@H](O)[C@@H](C)C[C@@H]5C)C=C4)C)C)C)C=C[C@@H](C3)C
Compound: Boletocrocin B
SMILES: O=C(N[C@H](C(=O)O)[C@H](CC)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CC(=O)N
Compound: (3S,2′S)-4-ketomyxol 2′-fucoside
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CC[C@H](OC2O[C@H]([C@@H](O)[C@H]([C@@H]2O)O)C)C(O)(C)C)\C)\C)\C)/C)/C)C(C)(C)C[C@@H]1O)C
Compound: Aureonitol A
SMILES: O1[C@@]2(OC/C(/[C@@H]2O)=C/C=C/CC)CC[C@@H]1CO
Compound: BE-19412A
SMILES: ClC1=C(O)C2=C(O)C3=C(C(=O)C4(O)C5=C(OC)C=6C(=O)NC(C)=CC6C=C5CCC4C3=O)C(=C2C=C1O)C
Compound: Cytochalasin P1
SMILES: O=C1[C@](O)([C@@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@]([C@H]([C@@H]4C=CC[C@@H]1C)O)(O)C)CC5=CC=CC=C5)C
Compound: Pentacecilide C
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C3O[C@]4([C@@H](O)C[C@@H]5[C@@]([C@H]4CC23)(C[C@H](C(=O)C)C(C5(C)C)=O)C)C)C
Compound: 8-hydroxy-22-dehydroxymethylkijanolide
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O)CC=C([C@H]4[C@@](C(=C1C2=O)O)([C@H]5[C@@H]([C@@H](O)[C@@](O)(C)C[C@@H]5C)C=C4)C)C)C)C=C[C@@H](C3)C
Compound: Ahpatinin Pr
SMILES: O=C(N[C@H](C(=O)N[C@H]([C@@H](O)CC(=O)N[C@H](C(=O)N[C@H]([C@@H](O)CC(=O)O)CC1=CC=CC=C1)C)CC(C)C)C(C)C)[C@@H](NC(=O)CC)C(C)C
Compound: Aureonitol B
SMILES: O1[C@]2(OC\C(\[C@@H]2O)=C\C=C\CC)CC[C@@H]1CO
Compound: Somalimycin
SMILES: O=C1O[C@H]([C@H](OC(=O)C(C)C)[C@@H](C)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(N)=CC=C2)C)=O)C
Compound: Penicillar B
SMILES: O1[C@H](/C=C(/C=C/C)\CO)CC[C@H]1C
Compound: Penicillitone
SMILES: O=C1C2=C([C@@]3([C@]4(C[C@@H](O)CC3)[C@H](C2=O)O4)C)[C@@H]5[C@@H](O)C[C@@H]([C@]1(C5)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: Microsporanate A
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@H]3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O[C@@H]%10O[C@H]([C@H](O)CC%10)C)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CC(/C=C/C(=O)C)=C[C@@H]3O)C)C)C
Compound: Actinopyrone A
SMILES: O=C1C(=C(OC(=C1C)CC=C(CC=CC(=CC(C(O)C(=CC)C)C)C)C)OC)C
Compound: Sporulosaldein A
SMILES: O=C(CC1=C(C(OC)=C(CO)C(=C1)O)C=O)C
Compound: Brevianamide X
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=CC=C4)N(C3)COC)CCC2
Compound: Mycestericin B
SMILES: O=C(O)C(N)([C@@H](O)[C@H](O)C/C=C/CCCCCCC(O)CCCCCC)CO
Compound: Himeic acid C
SMILES: O=C1C(C(=O)NC(=O)C[C@@H](C(=O)O)C)=CNC(=C1)/C=C/CCCCCCCCC(=O)O
Compound: Sporulosaldein B
SMILES: O=C(CC1=C(C(OC)=C(C=O)C(=C1)O)C=O)C
Compound: Microsporanate B
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@H]3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CC(/C=C/C(=O)C)=C[C@@H]3O)C)C)C
Compound: Heptemerone G
SMILES: O=C1C2=CC3=C(C=O)[C@@H](OC(=O)C)CC[C@@]3(C)CC[C@]2(C)[C@H](C1)C(C)C
Compound: Luteoride D
SMILES: O1N=C(C(OC)=C)CC2(C1NC=3C(=CC=CC23)/C=C/C(=C)C)O
Compound: 6-(1',2'-dimethyloxiran-1'-yl)-4-methoxy-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)OC)C2(OC2C)C
Compound: Sporulosaldein C
SMILES: O=C(CC1=C(C(OC)=C(C)C(=C1)O)C=O)C
Compound: Microsporanate C
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@H]3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)[C@@H](C8)O)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CC(/C=C/C(=O)C)=C[C@@H]3O)C)C)C
Compound: Remisporine A
SMILES: O=C1C2=C(OC3=C1[C@@](O)(C(=O)OC)C=C3)C=C(C)C=C2O
Compound: Neoefrapeptin G
SMILES: O=C(NC(C(=O)N1[C@H](C(=O)NC(C(=O)NCC(=O)O)(C)C)CCCC1)(C)C)C2(NC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)[C@H]4N(C(=O)C)CCCC4)(C)C)CCCC3)(CC)C)(C)C)CC(C)C)CC2
Compound: Sporulosaldein D
SMILES: O=CC1=C(OC)C2=C(C=C(C)OC2)C=C1O
Compound: Neocitreoviridin
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C=C/C(=C\[C@@]2(O[C@@H](C)[C@]([C@@H]2O)(O)C)C)/C
Compound: Microsporanate D
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O[C@@H]%10O[C@H]([C@H](O)CC%10)C)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)[C@@H](O)C=C(C3)/C=C/C(=O)C
Compound: Quinolactacin A2
SMILES: O=C1C2=C(N(C)C3=C1C(=O)N[C@H]3[C@H](CC)C)C=CC=C2
Compound: Torrubiellin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(O)=C(O)C3)C4=C(C[C@]56[C@H]4C=CC(=O)C5=C(O)C=7C(O)=CC(=CC7[C@H]6O)C)C=C2O
Compound: Pityriarubin A
SMILES: O=C1C(=C(C=2C3=C(C=CC=C3)NC2)C(C14N[C@H](C(=O)O)CC5=C4NC=6C=CC=CC56)=O)C=7C8=C(C=CC=C8)NC7
Compound: Sporulosaldein E
SMILES: O=CC1=C(OC)C2=C(C[C@H](C)OC2)C=C1O
Compound: 10Z-isocitreoviridinol
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C\C=C\[C@]2(O[C@]3(C(O)[C@@]([C@H]2O)(O[C@H]3C)C)C)C
Compound: Microsporanate E
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)[C@@H](O)C=C(C3)/C=C/C(=O)C
Compound: Caylobolide B
SMILES: O=C1OC(C(CCCC)C)CC(O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCCC(O)CCCC(CCCC(CCC[C@H](C[C@H](CCCC(=C1)C)O)O)O)O
Compound: (22Z,24Z)-13-hydroxy-3-oxo-14(13->12)abeolanosta-8,22,24-trien-26,23-olide
SMILES: O=C1C(C2[C@](C3=C([C@@]4(CC[C@@H](C(C4C3)(O)C)[C@@H](/C=C/5\OC(=O)C(=C5)C)C)C)CC2)(C)CC1)(C)C
Compound: Streptocidin A
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)CC4=CC=C(O)C=C4)CCC(=O)N)CC(=O)N)CC=5C6=C(C=CC=C6)NC5)CC(C)C)CCC2
Compound: Sporulosaldein F
SMILES: O=CC1=C(OC)C2=C(C=C(C)O[C@@H]2OC)C=C1O
Compound: Penicillstrebetaol
SMILES: O=C1OC(=C(C)C(=C1)OC)C(O)/C=C/C=C/C=C(/[C@@H]2O[C@]3([C@@H](C)O[C@@]2(C3O)C)C)\C
Compound: Palmarumycin CE3
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14[C@H]5[C@@H]6[C@@H](O)C=C[C@H]5O[C@H]4C[C@@H]6O
Compound: Phepropeptin C
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]1CC3=CC=CC=C3)=O)CC(C)C)=O)C(CC)C)CC(C)C)CC(C)C)CCC2
Compound: Microsporanate F
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)[C@@H](C8)O)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)[C@@H](O)C=C(C3)/C=C/C(=O)C
Compound: 2,2-Dimethyl-6-(5-methyl-benzofuran-2-yl
SMILES: O1C(C=2OC=3C=CC(=CC3C2)C)=CCCC1(C)C
Compound: 5,6-Epoxy-phomol
SMILES: O=C1O[C@@H]([C@@H](OC(=O)/C(=C/C(CC)C)/C)[C@@H](O)[C@@H]2[C@@H]([C@H]([C@@H](C1)O)O)O2)CCCCC
Compound: Isopenicillstrebetaol
SMILES: O=C1OC(=C(C)C(=C1)OC)C(O)/C=C/C=C/C=C(/[C@H]2O[C@]3([C@@H](C)O[C@@]2(C3O)C)C)\C
Compound: Phomallenic acid C
SMILES: O=C(O)CCCCCCCC=[C@@]=CC#CC#CCCC
Compound: Neovasipyridone B
SMILES: O=C1C(C(=O)CC)=CN(CCC(C)C)C(C1(O)C)/C(=C/C(CC)C)/C
Compound: Tetrocarcin P
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)[C@@H](O)C=C(C3)C=O
Compound: Fuscuyne
SMILES: O1C(OCCCC#CC#CC#CC)C(O)C(O)C(C1C)O
Compound: CJ-13,567
SMILES: O=C1C2=C(N(C)C(=C1)[C@@H](O)/C=C(/CCC=C(C)C)\C)C=CC=C2
Compound: Fuscin
SMILES: O=C1C=2OC(CCC2C3=CC(=O)O[C@H](C3=C1O)C)(C)C
Compound: CJ-14,258
SMILES: O1[C@H](O)C2[C@@H]3[C@@H]([C@@]4(CC[C@@]5(C([C@H]4CC2)=C(C(C)C)CC5)C)C)O[C@H]6C3([C@@H]1[C@H](O)CO6)O
Compound: Streptocidin D
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)CC6=CC=CC=C6)CC(C)C)CCC2
Compound: Chondroterpene A
SMILES: O[C@]12[C@](O)(C[C@@]3([C@]1(C(=C)[C@H](O)C3)C)O)CC(C2)(C)C
Compound: Hypoxyside A
SMILES: O1C(OC/C(=C\2/[C@H]3[C@@H]([C@H](C)CC3)CC(C2)(C)C)/C)C(O)C(O)C(C1CO)O
Compound: (1R,9R,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@H]3[C@H]([C@@H]1CO3)CC(=O)C)O
Compound: Secofuscin
SMILES: O=C1C(O)=C2C(=CC(=O)O[C@H]2C)C(=C1O)CC=C(C)C
Compound: 4,4,14alpha-trimethyl-24-oxo-5alpha-chol-8-en-12-oic acid dimethylacetal
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CCCC(OC)OC
Compound: (-)-Dihydropyrenophorin
SMILES: O=C1O[C@@H](CC[C@H](O)C=CC(=O)O[C@@H](CCC(C=C1)=O)C)C
Compound: Chondroterpene B
SMILES: O=C1C2=C([C@@]3(C(C(=O)C[C@@]3([C@@H]2O)O)=C)C)CC1(C)C
Compound: Malyngamide 4
SMILES: ClC=C(CN(C(=O)CC/C=C/C[C@@H](OC)CCCCCCC)C)CC(OC)=CC(=O)N1C(=O)C=CC1
Compound: 5-(3-methoxy-3-oxopropyl)-furan-2-carboxylic acid
SMILES: O=C(O)C=1OC(CCC(=O)OC)=CC1
Compound: Hypoxyolide A
SMILES: O=C1O[C@H](C(O)CCCCCCCCC)C2=C1[C@@H](O)[C@H](O)[C@H]([C@@H]2O)O
Compound: Crobetabyanol C
SMILES: BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(OS(=O)(=O)O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5
Compound: Chondroterpene C
SMILES: O=C1C2=C([C@@]3([C@@H]([C@@H](O)C[C@@]3(C2)O)C)C)CC1(C)C
Compound: Simplicilliumtide G
SMILES: O=C(O)[C@H](N(C(=O)[C@@H](NC(=O)C)[C@@H](CC)C)C)CC1=CC=C(O)C=C1
Compound: 1-(5-(2-hydroxypropanoyl)-furan-2-yl)-pentan-3-one
SMILES: O=C(C=1OC(CCC(=O)CC)=CC1)[C@@H](O)C
Compound: Hypoxyolide B
SMILES: O=C1O/C(=C\CCCCCCCCC)/C2=C1[C@@H](O)[C@H](O)[C@H]([C@@H]2O)O
Compound: Brevione M
SMILES: O=C1OC([C@@H]2CC[C@@]3([C@@H]([C@]2(C=C1)C)CC=C([C@]34OC=5C(=C(C)OC(C5C4)=O)C)C)C)(C)C
Compound: Lupinacidin A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=C(O)C(=C3O)C)CCC(C)C
Compound: Chrysotrione B
SMILES: O=C1C(=C(O)C=C1)C(=O)CCCCCCCCCC
Compound: Chondroterpene D
SMILES: O[C@@]12C=C3[C@@H](O)C(C)(C)C=C3[C@@]1([C@H](C)[C@H](C2)O)C
Compound: 2-hydroxy-1-(5-(1-hydroxypentyl)-furan-2-yl)-propan-1-one
SMILES: O=C(C=1OC(C(O)CCCC)=CC1)C(O)C
Compound: Eburicodiol
SMILES: O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](CO)CCC(=C)C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Mycestericin G
SMILES: O=C(O)C(N)([C@H](O)CCCCCCCCCCC(=O)CCCCCC)CO
Compound: Chrodrimanin J
SMILES: O=C1C=C[C@@]2([C@H]3[C@](OC=4C=C(O)C5=C(C4C3)C[C@@H](O)CC5=O)(C)CC[C@H]2C1(C)C)C
Compound: Macrolactin M
SMILES: O=C1OC(CCCC=CC=CC(O)CC(O)CC=CC=CC(CC=CC=C1)O)CC
Compound: Chondroterpene E
SMILES: O=C1[C@H]([C@]2([C@H]3[C@](O)(CC(C3)(C)C)C[C@]2(C1)O)C)C
Compound: 5-hydroxykynurenine
SMILES: NC(CC(=O)c1cc(O)ccc1N)C(O)=O
Compound: 6alpha-hydroxycastasterone
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
Compound: Sequoiatone D
SMILES: O=C(OC)C/1=C2C(=COC(=C2)C)[C@@](\C1=C\C(=O)[C@H](CCCCCCO)C)(O)C
Compound: 1-(5-(1,2-dihydroxypropyl)-furan-2-yl)-pentan-1-one
SMILES: O=C(C=1OC(C(O)C(O)C)=CC1)CCCC
Compound: Gloeophyllin K
SMILES: O=C(O)[C@@H](C1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)[C@H](C1)OC(=O)C)C)CC/C=C(/CO)\C
Compound: Aculeximycin
SMILES: O=C1OC(C(C(O)/C=C/C(C(O)C(C(O[C@@H]2O[C@H]([C@@H](O)[C@](C2)(N)C)C)CCC)C)CC)C)CC=C(C(O)C(C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)CC(O)C(C(O)CC4CC(C(C(CC(C(CCC(CC(CC=C1CC)O)O)C)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)C)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)N)C)C)(O4)O)O)O)C)C)C
Compound: Penicisoquinoline
SMILES: O=C1C2=C(C=3C(=CC(CO)=NC3)C=C2)O[C@@]1(O)C(C)C
Compound: Chondroterpene F
SMILES: O[C@]12[C@]([C@@H]3CC(C)(C)C[C@@H]3[C@H]1O)([C@H](C)[C@H](C2)O)C
Compound: 5-(1-hydroxy-pent-4-en-1-yl)-furan-2-carboxylic acid
SMILES: O=C(O)C=1OC([C@@H](O)CCC=C)=CC1
Compound: Xanthoquinodin B3
SMILES: O=C1C2=C(C(O)=C3[C@@]14C=C[C@H](C3=O)C5=C(C4)C=C(O)C6=C5O[C@@](C(=O)OC)([C@H]7OC(=O)CC7)CC6=O)C(O)=CC(=C2)C
Compound: Gloeophyllin L
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2(C1CCC3=C2C[C@H]4C(=C)[C@@H]([C@@H](CCC=C(C)C)C)CC[C@@H]34)C)C
Compound: Bacillomycin D methyl ester
SMILES: O=C1N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(NC(C(NC(C(NC1CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCCC)C(O)C)CO)CCC(=O)OC)CCC2
Compound: 6alpha-hydroxycampestanol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C
Compound: Monacolin P
SMILES: O=C(O[C@@H]1[C@H]2C(=C[C@@H](OC)[C@@H]([C@@H]2CC[C@H](O)C[C@H](O)CC(=O)OC)C)[C@H](O)[C@@H](C1)C)C(CC)C
Compound: Chondroterpene G
SMILES: O[C@]12[C@]([C@@H]3CC(C)(C)C=C3[C@H]1O)([C@H](C)[C@H](C2)O)C
Compound: 21-hydroxylanosterol
SMILES: O[C@@H]1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@H](CO)CCC=C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Cochinmicin II
SMILES: ClC=1NC(C(=O)N[C@H](C(=O)N[C@H]2C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(O[C@@H]2C)=O)C3=CC(O)=CC(=C3)O)=O)C4=CC(O)=CC(=C4)O)C)CC5=CC=CC=C5)CC6=CC=CC=C6)=CC1
Compound: 5-(3-hydroxypentyl)-furan-2-carboxylic acid
SMILES: O=C(O)C=1OC(CC[C@@H](O)CC)=CC1
Compound: 1-(2,4,6-Trihydroxyphenyl)-6Z,9Z,12Z,15Z-octadecatetraen-1-one
SMILES: O=C(C1=C(O)C=C(O)C=C1O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Chondroterpene H
SMILES: O=C1C(=C)[C@]2([C@@H]3[C@@](O)(CC(C3)(C)C)C[C@@]2(C1)OC)C
Compound: Hebetaeltin D
SMILES: O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@](C3=C2)(CCC(C4(C)C)=O)CO)O)C
Compound: GE2270 D2
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)NC)=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: Cotteslosin C
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)C
Compound: Gibepyrone D
SMILES: O=C1OC(/C(=C/C(=O)O)/C)=CC=C1C
Compound: 5-(1-hydroxypentyl)-furan-2-carboxylic acid
SMILES: O=C(O)C=1OC([C@@H](O)CCCC)=CC1
Compound: 5-heptadeca-9′E,11′Z,16-trienylresorcinol
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCC/C=C/C=C\CCCC=C
Compound: Emodacidamide A
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(C(=O)N[C@H](C(=O)OC)C(C)C)C3
Compound: 1-Methoxy-1'-hydroxy-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-4-on
SMILES: O=C(/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCCC(O)(C)C)\C)\C)\C)/C)/C)/C)CCC(OC)(C)C
Compound: 6,8-O-dimethylbipolarin
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(OC)C=C(OC)C3)[C@H]4OCCC4
Compound: (S)-(-)-8-methoxy-2-methyl-4-oxo-3,4-dihydro-2H,5H-pyrano[3,2-c]chromene-10-carboxylic acid
SMILES: O=C1C2=C(O[C@H](C1)C)C3=C(C=C(OC)C=C3C(=O)O)OC2
Compound: (E)-5-(2-carboxyvinyl)-furan-2-carboxylic acid
SMILES: O=C(O)C=1OC(/C=C/C(=O)O)=CC1
Compound: Emodacidamide B
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(C(=O)N[C@H](C(=O)O)C(C)C)C3
Compound: Microcystbiopterin D
SMILES: O=C1NC(=NC=2C1=NC(=CN2)[C@@H](O)[C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)OC)C(O)CO)C)N
Compound: Ro09-1547
SMILES: O1C(/C(=C/C=C/C=C/CCC)/C)C(O)C(O)C(C1)C
Compound: Pimprinethine
SMILES: O1C(C=2C3=C(C=CC=C3)NC2)=CN=C1CC
Compound: Dichotone A
SMILES: O=C(CC=1C(=C(O)C2=CC(C)=CC(=C2C1)C)C)C
Compound: (4R,8S)-10,16,18-trihydroxy-3,5-dioxapentacyclo[10.8.0.02,9.04,8.014,19]icosa-1,9,11,14(19),15,17-hexaene-13,20-dione
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C=4O[C@H]5OCC[C@H]5C4C(=C3)O
Compound: Emodacidamide C
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C=C(C(=O)N[C@H](C(=O)O)C(C)C)C=C3C(C2C=C1O)=O
Compound: Antrocinnamomin D
SMILES: O=C1O[C@H](O)C(=C1C2=CC=C(OCC=C(C)C)C=C2)CC(C)C
Compound: Decaspirone B
SMILES: O=C(O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC23OC=4C=5C(C=CC4)=CC=CC5O3)C
Compound: (2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-2H-uran-5-one
SMILES: O=C1O[C@H](CC2=CC3=C(OC(C)(C)[C@H](C3)O)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: Myrotheol A
SMILES: O=C1O[C@@H]2[C@H]3[C@]4([C@]([C@@H]5[C@@]([C@H](C(C)C)C[C@H]5O)(C)CC4)(C)CC=C3[C@@]16[C@H](C([C@@H](O)CC6)(C)C)C2)C
Compound: Emodacidamide D
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(C(=O)N[C@H](C(=O)OC)[C@H](CC)C)C3
Compound: 7'-hydroxyabscisic acid
SMILES: CC(\C=C\C1(O)C(CO)=CC(=O)CC1(C)C)=C\C(O)=O
Compound: Dichotone B
SMILES: O=C(CC1=CC=C(O)C=C1)CCC2=CC=C(OC)C=C2
Compound: Cytochalasin Z20
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(O)[C@@H](/C=C/C[C@@H](C(=O)[C@@H](O)C)C)[C@@H]4O[C@]4(C)[C@H]3C
Compound: Flammulinolide G
SMILES: O=C1OCC=2C1=C3C(=CC2C)CC([C@@H]3O)(C)C
Compound: Myrotheol B
SMILES: O[C@@H]1C([C@H]2[C@](C3=CC[C@@]4([C@@H]5[C@@]([C@H](C(C)C)C[C@H]5O)(C)CC[C@]4([C@@H]3[C@H](C2)O)C)C)(CO)CC1)(C)C
Compound: 1,8-dihydroxynaphthol 1-O-alpha-glucopyranoside
SMILES: O1[C@H](OC=2C3=C(O)C=CC=C3C=CC2)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Neoantimycin A
SMILES: O=C1O[C@H]([C@H](OC(=O)[C@H](CC)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=CC=CC=C2)C)=O)C
Compound: Auxarconjugatin B
SMILES: ClC1=C(NC=C1)/C=C/C=C/C=C/C=C/C=2OC(=O)C=C(C2)OC
Compound: Emodacidamide E
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(C(=O)N[C@H](C(=O)O)[C@H](CC)C)C3
Compound: Myrotheside C
SMILES: O1[C@@H](OC)[C@@]23C4=CC[C@]5([C@]([C@@H]4[C@@H]1C[C@H]2C([C@@H](O)CC3)(C)C)(CC[C@@]6([C@@H]5[C@H](O[C@H]7O[C@@H]([C@@H](OC)[C@@H]([C@@H]7O)O)CO)C[C@H]6C(C)C)C)C)C
Compound: A-75943
SMILES: O=C1C([C@@H]2OC(=O)C[C@@H](C2)CC(=O)N)C[C@@H](C)C[C@@H]1C
Compound: Neoantimycin B
SMILES: O=C1O[C@H]([C@H](OC(=O)C(C)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=CC=CC=C2)C)=O)C
Compound: Colletofragarone A2
SMILES: O=C1OC(CC(O)CC([C@H]2[C@H]3C1=C(O[C@H]3C=CC2=O)/C=C/C=C/C=C/C)O)C
Compound: Plastin A
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H]1[C@@H](CC)C)=O)CC(C)C)=O)C(C)C)CCCN=C(N)N)CC2=CC=C(O)C=C2
Compound: Emodacidamide F
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C=C(C(=O)N[C@H](C(=O)O)[C@H](CC)C)C=C3C(C2C=C1O)=O
Compound: Myrotheside D
SMILES: O1C2O[C@@H]3[C@H]4[C@]5([C@]([C@@H]6[C@@]([C@H](C(C)C)C[C@H]6O[C@H]7O[C@@H]([C@@H](OC)[C@@H]([C@@H]7O)O)CO)(C)CC5)(C)CC=C4[C@@]28[C@H](C([C@@H]1CC8)(C)C)C3)C
Compound: Piericidin E1
SMILES: O=C1C(=C(NC(=C1)OC)CC2OC2(C/C=C/C(=C/[C@H]([C@@H](O)/C(=C/C)/C)C)/C)C)C
Compound: 2-hydroacetoxydehydroaustin
SMILES: O=C1O[C@]2(C(=C)[C@@]34[C@@]1(O[C@@]5(C(=C)[C@@]6(C(OC(=O)[C@H](C6)O)(C)C)C[C@H]([C@]35C)OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC4=O)C)C
Compound: Cetoniacytone B
SMILES: O=C1C=C(N)[C@H](O)[C@@H]2[C@]1(O2)CO
Compound: Chaetomugilin K
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3C[C@@](O[C@@]3(C1=O)C)(OC)/C(=C/C)/C
Compound: Emodacidamide G
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C=C(C(=O)N[C@H](C(=O)O)CC(C)C)C=C3C(C2C=C1O)=O
Compound: 6′,12′-epoxymyrotoxin A
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)CC4)O[C@H](C2)[C@]35OC5)COC(=O)C6[C@@]7([C@H]8[C@@](CCC=C1)(OCC7)O8)O6)C
Compound: (ADMAdda5)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(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: Diorcinol 3-O-alpha-D-ribofuranoside
SMILES: O1[C@H](OC2=CC(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: 7'-hydroxymytoxin B
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@@H]([C@]6([C@@H](C(=C1)CCO6)O)C(=O)C)O)C
Compound: Thomimarine C
SMILES: O1[C@]23C(=CCC[C@]2(CC[C@H](C1(CO)CO)C3)C)C
Compound: Graphiumin F
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C
Compound: Emodacidamide H
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(C(=O)N[C@H](C(=O)O)C)C3
Compound: Tyromycic acid B
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(\C(=O)O)/C)C)CC4)(C)[C@@H]([C@@H]3OC(=O)C)OC(=O)C)C)CC2)(C)CC1)(C)C
Compound: Glucosylsucrose derivative 3
SMILES: O1C(O[C@@]2(OC(CO)[C@@H]([C@H]2O)O)CO)C(O[C@H]3OC([C@@H](O)C([C@@H]3O[C@H]4OC([C@@H](O)C(C4O[C@H]5OC([C@@H](O)C([C@@H]5O)O)CO)O)CO)O)CO)C(O)C(C1CO)O
Compound: N-((3E,5Z)-3,5-dodecadienoyl)homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)C/C=C/C=C\CCCCCC
Compound: Nodulisporic acid F
SMILES: O=C(O)/C(=C/CC[C@@]1([C@@H](O)CC[C@]2([C@H]1CC[C@@H]3[C@@]2(C=4NC=5C=CC=CC5C4C3)C)C)C)/C
Compound: 3,8-dihydroxy-2-methyl-9-oxoxanthene-4-carboxylic acid methyl ester
SMILES: O=C1C2=C(OC3=C1C=C(C)C(=C3C(=O)OC)O)C=CC=C2O
Compound: Isoaigialone A
SMILES: O=C1O[C@](O)(C)C2=C1[C@@H](O)[C@@](O)(C)[C@H](O2)CCCCCCC
Compound: Terrelactone B
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC(=O)C)C(=C1O)C3=CC=C(OC)C=C3
Compound: Thiochondrilline C
SMILES: S1SC[C@H](N(C(=O)CNC([C@@H](C1)NC(=O)C2=NC=3C(=CC=CC3)C=C2O)=O)C)C(=O)N([C@H](C(=O)OC)CSC)C
Compound: Coniochaetone J
SMILES: O=C1C2=C(OC3=C1[C@@H](OC)CC3)C=C(C(=O)OC)C=C2O
Compound: Isoaigialone C
SMILES: O=C1O[C@@H](C)C2=C1[C@H](O)[C@@](O)(C)[C@@H](O2)CCCCCCC
Compound: N-((2E,5Z)-2,5-dodecadienoyl)homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)/C=C/C/C=C\CCCCCC
Compound: Cyathiformine B
SMILES: O=C(OC)C1=C[C@@H](OC(C(=O)OC)=C)[C@H](O)[C@@H]([C@H]1O)O
Compound: TAN-1813
SMILES: O=C1NC(=O)C(=C1C(=O)C2C3[C@](O)(C=C[C@H]2C)C[C@H](C(=O)O)C[C@@H]3C)[C@H](C=C)CCCCC
Compound: Cotteslosin B
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)C
Compound: Abscisterol D
SMILES: O1[C@@]23[C@H](CC[C@]/4([C@H]2CC\C4=C/CCC(=C)C(C)C)C)[C@]5(C1)[C@H](C[C@@H](O)CC5)CC3
Compound: Secalonic acid H
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C(=C(O)C=C4)C(=O)C5=C(C(O)=C(C)C=C5O)C(=O)OC)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: Geranylpyrrol A
SMILES: O=C(OC)C=1NC=C(C1NC(=O)C)C/C=C(/CCC=C(C)C)\C
Compound: 3-((3E,6E,8E,10R,11R,12E)-11-hydroxy-4,8,10,12-tetramethyltetradeca-3,6,8,12-tetraenamido)butanoic acid
SMILES: O=C(O)CC(NC(=O)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O)/C(=C/C)/C)C)/C)\C)C
Compound: Cryptophycin-23
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)C
Compound: Waraterpol
SMILES: OC1=C(C=CC(=C1)CO)C(O)(CCCC(CO)C)C
Compound: Mycinamicin IX
SMILES: O=C1O[C@@H]([C@](O)(C=CC=CC(=O)[C@@H](C[C@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](CC(C2O)N(C)C)C)C)C)CO[C@@H]3OC([C@H](O)[C@@H]([C@@H]3OC)O)C)CC
Compound: Secalonic acid I
SMILES: O=C1C2=C(O)C3=C(C=C(C4=C(O)C(=C(O)C=C4)C(=O)C5=C(C(O)=C(C)C=C5O)C(=O)OC)C=C3O)O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: Globosumoside A
SMILES: ClC1=C(OC)C=C(O)C(=C1CCC)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO
Compound: Piericidin F
SMILES: O=C1C(=C(NC(=C1)OC)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](OC)/C(=C/C)/C)C)/C)\C)C
Compound: (3E,6E,8E,10R,11R,12E)-11-hydroxy-4,8,10,12-tetramethyltetradeca-3,6,8,12-tetraenoic acid
SMILES: O=C(O)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O)/C(=C/C)/C)C)/C)\C
Compound: Stemphone C
SMILES: O=C1C=2OC3(C(C4(C(OC(C(O)(C)C)CC4)CC3)C)CC2C(=O)C=C1C(C(OC(=O)C)/C(=C/C)/C)C)C
Compound: 4,7-dihydroxy-3-methyl-2-(4-methyl-1-oxopentyl)-6H-dibenzo[b,d]pyran-6-one
SMILES: O=C1OC2=C(O)C(=C(C(=O)CCC(C)C)C=C2C=3C1=C(O)C=CC3)C
Compound: Gageopeptide D
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCC(CC(CC)C)C)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C
Compound: Paenidigyamycin A
SMILES: [N+]1(=C(N(CCC2=CC=CC=C2)C(=C1C)C)C3=[N+](C(C)=C(N3CCC4=CC=CC=C4)C)CCC(C)C)CCC(C)C
Compound: Ochracene A
SMILES: O=C(O)[C@H]1[C@@H]2C=C(C(C)=CC[C@]2([C@H](O)CC1)C)C
Compound: Pestalofone B
SMILES: O=C1[C@@]2(/C(/C(=C\3/[C@@H](O)[C@]4(O[C@H]4[C@H](C3)O)CC=C(C)C)/C=C(C2)C)=C\C(=C)C)C[C@H](O)[C@H]5[C@@]1(O5)CC=C(C)C
Compound: 16-hydroxymaltophilin
SMILES: O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@@H]4[C@H]([C@]5(O)[C@H]([C@@H](CC)C[C@@H]5C4)C)C(C3)=O
Compound: Homoharzianic acid
SMILES: O=C\1N(C(CC(O)(C(=O)O)C(CC)C)C(/C1=C(\O)/C=C/C=C/CCC)=O)C
Compound: (3R,4S)-3,4-dihydro-8-hydroxy-4-methoxy-3-methylisocoumarin
SMILES: O=C1O[C@@H]([C@@H](OC)C=2C1=C(O)C=CC2)C
Compound: Aeruginosin 298-A
SMILES: O=C(NC(CO)CCCN=C(N)N)C1N(C(=O)[C@@H](NC(=O)C(O)CC2=CC=C(O)C=C2)CC(C)C)C3CC(O)CCC3C1
Compound: 3-[6-(2-methylpropyl)-2-oxo-1H-pyrazin-3-yl]propanamide
SMILES: O=C1NC(=CN=C1CCC(=O)N)CC(C)C
Compound: Ochracene B
SMILES: O=C(O)[C@@H](C1=C(CC[C@@H](C(=C1)C)C)C)CCCO
Compound: (-)-brevicolide A
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C[C@H](O)[C@@]3(OC(=O)CC3)C
Compound: 9-oxostrobilurin G
SMILES: O=C(OC)C(=COC)C(C(=O)C=CC1=CC=2OC([C@H](OCC=C(C)C)COC2C=C1)(C)C)C
Compound: Cyclipostin H
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCC(=O)CCCC
Compound: Cladosporitin A
SMILES: O=C1NC(=O)[C@@H]([C@H]1C(=O)[C@@H]2[C@H](C(=C[C@]3([C@H]2CC[C@H](C3)C)C)C)/C(=C/C(CC)C)/C)CC4=CC=C(O)C=C4
Compound: Myxol (II)
SMILES: OC([C@H](O)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CC(O)CC1(C)C)C)\C)\C)/C)/C)/C)(C)C
Compound: Ochracene C
SMILES: O=C(O)[C@@H](C1=C(CC[C@@H](C(=C1)C)C)C)CCC(=O)O
Compound: (+)-brevicolide A
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C[C@@H](O)[C@]3(OC(=O)CC3)C
Compound: Ganocin D
SMILES: O=C1CC2=C3[C@@](OC4=C([C@H]3C1)C=C(O)C=C4)(CCC=C(C2)C)C
Compound: 10,11-dihydrobisvertinolone
SMILES: O=C1/C(/C(=O)[C@]2([C@H]3C(=C(O)C(=C([C@]3(O[C@]2([C@]1(O)C)O)C)O)C)C(=O)CC/C=C/C)C)=C(/O)\C=C\C=C\C
Compound: Cladosporitin B
SMILES: O=C1NC(=O)[C@H]([C@H]1C(=O)[C@@H]2[C@H](C(=C[C@]3([C@H]2CC[C@H](C3)C)C)C)/C(=C/C(CC)C)/C)CC4=CC=C(O)C=C4
Compound: methyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
SMILES: O=C(OC)CCC(=O)C=1OC([C@H](O)C)=CC1
Compound: Ochracene D
SMILES: O=C1C=C2C=C(C=O)[C@@H](C)CC[C@@]2(C)C=C1
Compound: 2-epi-botcinin A
SMILES: O=C1O[C@@H]2[C@@](O[C@@H](C)[C@@H]([C@H]2C)OC(=O)/C=C/[C@@H](O)CCCC)(C)[C@H]([C@@H]1C)OC(=O)C
Compound: (-)-brevicolide B
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C[C@H](O)[C@]3(OC(=O)CC3)C
Compound: Spiromastixone M
SMILES: ClC1=C2OC3=C(C(=CC(=C3)O)CCC)OC(C2=C(CCC)C(=C1O)Cl)=O
Compound: Clapone
SMILES: O=C1C2=C(OC(=C1)/C=C/C)C=C(O)C=C2C
Compound: 19-hydroxypenitrem A
SMILES: ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)[C@]7(O)CC[C@@]8([C@@]([C@]7(C5NC4=C1)C)(CC[C@H]9[C@@]8%10O[C@@H]%10[C@@H](O)[C@H](O9)C(=C)C)C)O
Compound: Ochracene E
SMILES: O=C1C=C2C=C([C@@H](C)CC[C@@]2(C)C=C1)C(OC)OC
Compound: (+)-brevicolide B
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C[C@@H](O)[C@@]3(OC(=O)CC3)C
Compound: Leopolic acid A
SMILES: O=C1N(C(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)C(C)C)CC(=C1O)CCCCCCCCCC
Compound: Speradine A
SMILES: O=C1N2C([C@@H]3CC=4C=CC=C5C4[C@H]([C@@H]3[C@H]2C(=C1C(=O)C)O)C(=O)N5C)(C)C
Compound: 4-oxo-1,4-dihydroquinoline-3-carboxamide
SMILES: O=C1C(C(=O)N)=CNC2=C1C=CC=C2
Compound: Ochracene F
SMILES: O=C1C=C2C=C([C@@H](C)CC[C@@]2(C)C=C1)CO
Compound: Penicitol D
SMILES: O=C1O[C@@](OC2=C(C3=C(CO[C@H]([C@@H]3C)C)C(=C2)O)C)(CC=4C1=C(O)C(=C(O)C4C)C)C
Compound: Pinophilin G
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C)/C=C/C(=O)O
Compound: Koninginin K
SMILES: O=C1C2=C(O[C@H]([C@@H](O)CCCCCC(=O)O)CC2)CC[C@@H]1O
Compound: Zythiostromolid
SMILES: O=C1O[C@@H]2C[C@H]3[C@H](C(=C)CC[C@@H]3[C@@]4([C@@]2([C@@]1([C@H](O)CC4)C)O)C)C=C
Compound: Sattazolin
SMILES: O=C([C@@H](O)CC=1C2=C(C=CC=C2)NC1)CC(C)C
Compound: Ochracene G
SMILES: O=C1C=C2C=C(C(=O)O)[C@@H](C)CC[C@@]2(C)CC1
Compound: 1-epi-citrinin H1
SMILES: O=C1C=2OC3=C4C(=C(C)C(=C3)O)[C@H](C)[C@H](O[C@@H]4C2C(=O)C(=C1[C@@H]([C@H](OC=O)C)C)C)C
Compound: [(2R,3S,4R,5R,6R)-5-[[(3R)-3-decanoyloxydodecanoyl]amino]-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxydodecanoyl]amino]-4-[(3R)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydodecanoate
SMILES: P(=O)(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C[C@H](OC(=O)CCCCCCCCC)CCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCC)CO[C@@H]2O[C@@H]([C@@H](OP(=O)(O)O)[C@@H]([C@H]2NC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCC)CO)(O)O
Compound: Ochracene H
SMILES: O=C(O)C1=CC2=CCC[C@H]([C@]2(C)CC[C@@H]1C)O
Compound: UCE-6
SMILES: O=C1C2=C(O)C=3C(=CC(O)=CC3CC(=O)C[C@@H](O)C)C=C2C(=O)C=4C1=C(O)C(=C(O)C4)C
Compound: 2,6-dimethoxy terephthalic acid
SMILES: O=C(O)C1=C(OC)C=C(C(=O)O)C=C1OC
Compound: (4R,5S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,5,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4[C@H]3[C@H](O)CO4)C=C2OC5=C1C(O)=CC(=C5)O[C@H]6O[C@@H]([C@@H](OC)[C@@H]([C@H]6O)O)CO
Compound: Pseudboindole B
SMILES: [S@@](=O)(CCC(C=1C2=C(C=CC=C2)NC1)C=3C4=C(C=CC=C4)NC3)C
Compound: Cladosporester A
SMILES: O=C(OC)/C=C/CC(O)CCCCCC(O)C
Compound: Ochracene I
SMILES: O[C@H]1[C@]2(C(C=C(CO)[C@H](CC2)C)=CCC1)C
Compound: Cercosporene C
SMILES: O=C1C(O)=C[C@]2(CC[C@]3(C(=CC2=C1CO)C(=O)C[C@@H]3C(C)C)C)C
Compound: Arthrinin B
SMILES: O=C1O[C@@H]2[C@@H](O)C=3C=C(C)C(=C(C3[C@@]45[C@H]2[C@]1(CC[C@@H]4C5)C)O)C=C
Compound: Nambinone B
SMILES: O=C1C=C2[C@]([C@H](C[C@H]([C@H]2O)O)C)(C)[C@@H]3[C@H]1C3(CO)C
Compound: Pseudboindole A
SMILES: OC(CC=1C2=C(C=CC=C2)NC1)CC=3C4=C(C=CC=C4)NC3
Compound: Cladosporester B
SMILES: O=C(OC)/C=C/C(O)CCCCCCC(O)C
Compound: N,N'-((1S,1'R,2S,2''S,8'R,11'S,14'R,17'S,21'R,24'S,27'R)-27'-(isopropylthio)-2,2'',3',11',13',16',24',26'-octamethyl-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cyclopropane-1,4'-bicyclo[12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl)bis(3-hydroxyquinoline-2-carboxamide)
SMILES: S1[C@H](SC(C)C)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)C=C3O)COC([C@@]5(N(C([C@H](C1)N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C6=NC=7C(=CC=CC7)C=C6O)COC([C@@]8(N(C2=O)C)[C@@H](C)C8)=O)C)C)=O)C)[C@@H](C)C5)=O)C)C
Compound: Botrysphin D
SMILES: O=C1C(O)=C2[C@](C(=O)O[C@H]3C(=O)C=C(OC)[C@H]([C@H]3O)O)(CCCC2(C)C)C4=C1[C@@H](O)[C@](C=C)(C)CC4
Compound: Quinolonic acid
SMILES: O=C1C(=C(N(C)C2=C1C=CC=C2)C(=O)O)C(=O)N
Compound: Phenalamide A2
SMILES: O=C(N[C@H](CO)C)/C(=C/C=C/C=C/C=C/C(=C/[C@H]([C@@H](O)/C(=C/[C@H](CCC1=CC=CC=C1)C)/C)C)/C)/C
Compound: Cladosporester C
SMILES: O=C(OC[C@@H](O)CO)/C=C/CCCCCCC(=O)OC
Compound: Botrysphin E
SMILES: O=C1C(O)=C2[C@](C(=O)O[C@H]3C(=O)C=C(OC)[C@H]([C@H]3O)O)(CCCC2(C)C)[C@@]4(C1=C[C@@](C=C)(CC4)C)O
Compound: Tolyporphin G
SMILES: O=C1C=2N=C(C1(OC(=O)C)C)C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5)C)C(O)(C4=O)C)C=C3C
Compound: Waspergillamide B
SMILES: O=[N+]([O-])C1=CC=C(C(=O)NCC(=O)OC([C@H]2NC(=O)[C@](O)(CC(C)C)NC2=O)(C)C)C=C1
Compound: CJ-15544
SMILES: O=C1[C@]2(O)[C@H](O)C3=CC[C@H]4[C@]([C@@H]5[C@@H]3[C@]1(O)[C@H](O5)OC2)(CC[C@@]6(C4=C(C(C)C)CC6)C)C
Compound: Microviridin C
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(=O)NCCCC[C@H]3C(=O)N[C@H](C(N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC=5NC=6C=CC=CC6C5)=O)CC(=O)O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C)CC7=CC=CC=C7)[C@H](O)C)C(=O)N[C@H](C(=O)N3)CC(C)C)C)=O)CO)=O)CCC4)=O)CC8=CC=C(O)C=C8)CCC(=O)OC
Compound: Botrysphin F
SMILES: O=C1C(O)=C2[C@](C(=O)O[C@@H]3C(=O)C=C(OC)[C@H]([C@H]3O)O)(CCCC2(C)C)C4=C1[C@@H](O)[C@](C=C)(C)CC4
Compound: Cladosporacid A
SMILES: O=C(O)/C=C/CC(O)CCCCCC(O)C
Compound: Ochraspergillic acid A
SMILES: O=C1OC(O)(C(CNC2=C(C(=O)O)C=CC=C2)C)C(=C1)OC
Compound: Stresgenin B
SMILES: O=C(OC)/C=C/1\C=C[C@H]2[C@@H]1O[C@@](C(=O)N)(C)O2
Compound: Fornicin C
SMILES: O=C(O)[C@H](CC(=O)C1=C(O)C=CC(=C1)O)CC/C=C(/CCC=C(C)C)\C
Compound: Silybin B
SMILES: O=C1C2=C(O[C@@H]([C@H]1O)C3=CC=4O[C@@H](C5=CC(OC)=C(O)C=C5)[C@H](CO)OC4C=C3)C=C(O)C=C2O
Compound: Cladosporacid B
SMILES: O=C(O)/C=C/CCCCCC(O)CC(O)C
Compound: Ochraspergillic acid B
SMILES: O=C1OC(O)(C(CNC2=CC=C(C(=O)O)C=C2)C)C(=C1)OC
Compound: Botrysphone A
SMILES: Cl[C@@H]1C(OC)=CC(=O)[C@@H]([C@@H]1O)O
Compound: Tramspiroin D
SMILES: O=C1O[C@H]2[C@@]3([C@H](C)CC[C@H]2[C@H]1C)[C@H]4O[C@@]4(C)CC3
Compound: Cercosporene A
SMILES: O=C1C(=C2C=C3C(=O)C(O)=C([C@@]3(C)CC[C@]2(C)C[C@H]1O)C(C)C)CO
Compound: Cladosporacid C
SMILES: O=C(O)/C=C/C(CO)CCCCCC(O)C
Compound: Saccharoquinoline
SMILES: O=C(O)C1=NC2=C(O)C(O)=C3O[C@]4(CC[C@H]5[C@]([C@@H]4CC3=C2C=C1)(CCCC5(C)C)C)C
Compound: Proximicin A
SMILES: O=C(OC)NC1=COC(=C1)C(=O)NC2=COC(=C2)C(=O)N
Compound: Botrysphone B
SMILES: O=C1C=C(OC)[C@@H](OC)[C@H]([C@H]1O)O
Compound: Aspochalasin W
SMILES: S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=C(C)CCCC(C1)=O)O)C)CC(C)C)C
Compound: Hygrophorone A12
SMILES: O=C1C=C[C@@H]([C@]1(O)C(O)CCCCCCCCCCCC)O
Compound: Cladosporacid D
SMILES: O=C(O)/C=C/CC(O)/C=C/CC(O)CC(O)C
Compound: Huaspenone C
SMILES: O=C1C(=C(N)O[C@]1(/C=C/C=C/CC)C)C(=O)OC
Compound: Indolepyrazine A
SMILES: O=C1NC=2C=CC=CC2[C@@]1(O)CC3=NC(=CN=C3)CC=4C5=C(C=CC=C5)NC4
Compound: 3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine
SMILES: O=C1O[C@H](CC=2C1=C(O)C(=CC2)C)C[C@H](O)C
Compound: Herbarin A
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C(=O)O
Compound: Botrysphone C
SMILES: Cl[C@@H]1C(OCC)=CC(=O)[C@@H]([C@@H]1O)O
Compound: Cladosporacid E
SMILES: O=C(O)/C=C/C=C/CCC[C@H](O)CO
Compound: A-80915G-8"-acid
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)[C@]3([C@@]1(O3)CC=C(C)C)C/C=C(/CC/C=C(/C(=O)O)\C)\C
Compound: Quanolirone II
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(O)C(C5)OC6OC(C(O)CC6)C)C
Compound: Laricinolic acid
SMILES: O=C(O)[C@H]1C(=C)[C@@H](O)C[C@@H]2[C@@]1(CCCC2(C)C)C
Compound: Lagunamide D
SMILES: O=C1O[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N(CC(=O)N[C@H](C(N([C@H](C(O[C@@H]([C@H]([C@H](CC=C1C)O)C)CCC)=O)C)C)=O)[C@H](CC)C)C)CC2=CC=CC=C2)C)C)[C@H](CC)C
Compound: Cryptophomic acid
SMILES: ClC1=C(/C=C/C)[C@](O)(C(=O)O)[C@@H]([C@@H]1O)Cl
Compound: Botrysphin A
SMILES: O=C1C2=C([C@@H](O)[C@](C1)(C=C)C)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C
Compound: Aleurodiscal
SMILES: O=CC1=CC[C@@H]2C(C[C@@H]([C@H]2C)OC3OCC(O)C(C3O)O)=C([C@@H]4[C@@]1(C[C@]5(C[C@@H](O)[C@H]([C@@H]5C4)C(C)C)C)C)C
Compound: (2S,4aR,4bR,6aS,12bS,12cS,14aS)-4a-demethylpaspaline-4a-carboxylic acid
SMILES: O=C(O)[C@]12[C@@H](O[C@H](C(O)(C)C)CC1)CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
Compound: Fusarisolin C
SMILES: O=C(O)[C@@H]([C@H](O)CCCC[C@H](C/C(=C/C(=C/C)/C)/C)C)C
Compound: Botrysphin B
SMILES: O=C1C2=C([C@@H](O)[C@](C1)(C=C)C)CC[C@@H]3[C@@]2(CCCC3(C)C)C
Compound: Cryptodiol
SMILES: ClC1=C(/C=C/C)C(O)[C@@H]([C@@H]1O)Cl
Compound: Lyngbyastatin 3
SMILES: O=C1N([C@H](C(=O)N[C@@H]([C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@@H](CC(C)C)C(NCC(N([C@H](C(N([C@H](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@H](CC)C)C)CCC)C)C
Compound: Botrysphin C
SMILES: O=C1O[C@@H]2C3=C[C@](C=C)(C)CC([C@@]3([C@@]14[C@H](C(CCC4)(C)C)C2)O)=O
Compound: 4,4,6,6-tetramethyl-1,2,5-trithiepane
SMILES: S1C(CSSCC1(C)C)(C)C
Compound: Fusarisolin D
SMILES: O=C(O)[C@@H]([C@H](O)CCCC[C@H](C/C(=C/C(=C\C)/C)/C)C)C
Compound: Cryptotriol
SMILES: ClC1=C(/C=C/C)C(O)C(C1O)O
Compound: Salinosporamide J
SMILES: ClCC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)CC3C=CCCC3
Compound: Stachybotrysin A
SMILES: O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C(=C(C)C=C(C4C3)O)C=O)[C@H](C)CC2)(C)CC1)(C)C)C
Compound: Rubrumazine C
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C
Compound: Vialinin B
SMILES: O=C(OC1=C(C(O)=C2OC3=C(C2=C1OC(=O)CC4=CC=CC=C4)C=C(O)C(=C3)O)C5=CC=C(O)C=C5)CC6=CC=CC=C6
Compound: Fusarisolin A
SMILES: O=C1O[C@H]([C@@H](CCCCC[C@H](C/C(=C/C(=C/C(=O)O)/C)/C)C)C)[C@H]1CO
Compound: 19-carbonyl-xiamycin
SMILES: O=C1C2=C(C=C3C=4C=CC=CC4NC3=C2)[C@]5(CC[C@@H]([C@]([C@@H]5C1)(C(=O)O)C)O)C
Compound: Stachybotrysin B
SMILES: O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C(=C(CO)C=C(C4C3)O)C=O)[C@H](C)CC2)(C)CC1)(C)C)C
Compound: Tsugicoline A
SMILES: O=C1C2=C([C@@H](O)[C@@H]3CC(C[C@@H]3[C@@]2(C)[C@@H]1O)(C)C)CO
Compound: Urdamycin X
SMILES: O=C1O[C@]2(O)C=3C(=O)C4=C(C(O)=CC=C4)C(C3CC[C@]2(O)C[C@](C1)(O)C)=O
Compound: 12alpha-Hydroxy-3,7-diketocholanic acid
SMILES: O=C1C2C([C@]3(CCC(CC3C1)=O)C)C[C@H](O)[C@]4(C2CCC4[C@@H](CCC(=O)O)C)C
Compound: Fusarisolin B
SMILES: O=C1O[C@](CCCCC[C@H](C/C(=C/C(=C/C(=O)O)/C)/C)C)(C)C[C@H]1CO
Compound: Stachybotrysin C
SMILES: O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C(=C(CO)C=C(C4C3)O)C=O)[C@H](C)CC2)(C)C[C@H]1O)(C)C)C