MonarchInit/C3PO huggingface dataset:
Compound: (3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2-hydroxy-4-methoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
SMILES: O=C1OC([C@@H](OC)C=CC=C(C[C@@H](C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC([C@H](C)C(C2)OC)CC)O)C)C
Compound: Coniochaetone E
SMILES: O=C1C2=C(OC3=C1[C@H](OC)CC3)C=C(C)C=C2O
Compound: Salivaricin B
SMILES: S(CC[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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CN)C(C)C)[C@H](CC)C)CCC(=O)N)[C@H](O)C)[C@H](CC)C)CO)CC=1NC=NC1)CCC(=O)O)CS)CCCNC(=N)N)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(=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(=O)N[C@H](C(=O)O)CO)CS)CS)[C@H](O)C)CC2=CC=CC=C2)CC(C)C)CC3=CC=CC=C3)CCC(=O)N)CC=4C5=C(C=CC=C5)NC4)CO)CC(=O)N)C
Compound: Paliclavine
SMILES: O[C@@H](C(=C)C)[C@@H]1C2=C3C(NC=C3C[C@H]1NC)=CC=C2
Compound: Altiloxin A
SMILES: O=C(O)[C@H]1[C@](O)(C[C@H]2[C@@]3([C@@]1(CCCC3(C)C)C)O2)C
Compound: 5-Hydroxy-2,3-dimethylcyclopent-2-enone
SMILES: O=C1C(=C(C)C[C@@H]1O)C
Compound: Cyclo(6,7-en-Pro-L-Phe)
SMILES: O=C1N[C@H](C(=O)N2C1=CCC2)CC3=CC=CC=C3
Compound: Macrolactin B
SMILES: O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C
Compound: 3,6-di-O-acetyl-2-O-octadecanoyl-alpha,alpha-D-trehalose
SMILES: O=C(OC1C(OC(COC(=O)C)C(C1OC(=O)C)O)OC2OC(C(O)C(C2O)O)CO)CCCCCCCCCCCCCCCCC
Compound: Dihydroabikoviromycin
SMILES: O1[C@@]23/C(/C=CC2NCC[C@@H]13)=C/C
Compound: Tetrahydrotrichodimerol
SMILES: O=C(C1=C(O)[C@@]2([C@]3(O[C@]4(C2C(C(=O)CC/C=C/C)=C([C@]5(C1[C@@]3(O[C@]54O)C)C)O)C)O)C)CC/C=C/C
Compound: 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
SMILES: N1=C2C(=C(/C=C/CC)CC2)C[C@@H](C1)C
Compound: Monascusazaphilone A
SMILES: O=C1C=C2C(=COC(=C2)/C=C/C)[C@@H]3[C@]1(OC(OC)(CCCCCCC)C3)C
Compound: Menisporopsin B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2)C[C@H](OC(=O)C3=C(O)C=C(O)C=C3C[C@H](OC(=O)C[C@H](OC(=O)C4=C(O)C=C(O)C=C4C[C@H](OC(=O)C[C@H](O)C)C)C)C)C
Compound: Psoracorylifol C
SMILES: O1[C@@]2(O[C@H]([C@@H]1C3=CC=C(O)C=C3)[C@@](C=C)(C)CC2)C(C)C
Compound: Hypocrellin B
SMILES: O=C1C2=C(O)C(OC)=C3C(=C(C)CC=4C5=C3C2=C(C=6C(OC)=CC(C(C56)=C(O)C4OC)=O)C(=C1)OC)C(=O)C
Compound: Isokotanin B
SMILES: O=C1OC2=C(C(=C(C3=C(O)C=C4OC(=O)C=C(C4=C3C)OC)C(=C2)OC)C)C(=C1)OC
Compound: Okaramine P
SMILES: O=C1N2[C@H]3NC=4C(=CC=CC4[C@@]3(O)C[C@H]2C(=O)N5[C@H]1[C@@H](O)C=6C7=C(C=CC=C7)NC6C(C=C5)(C)C)CC=C(C)C
Compound: 4,8,14-Trihydroxyilludala-2,6,8-triene
SMILES: OC1=C(C(=C(C)C2=C1C[C@](CO)(C)C2)CCO)C
Compound: (3S*,4S*)-3,4-dihydroxy-7-methyl-3,4-dihydro-1(2H)-naphthalenone
SMILES: O=C1C2=C(C=CC(=C2)C)[C@H](O)[C@H](C1)O
Compound: Pseudacyclin C
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(N[C@@H]1CC3=CC=CC=C3)=O)NC(=O)[C@@H](N(C(=O)C)C)[C@H](CC)C)[C@H](CC)C)[C@H](CC)C)CCC2
Compound: 1-[(6S,7S)-6,7-dihydroxy-3-(hydroxymethyl)-6-methyl-5,7-dihydro-4H-1-benzouran-2-yl]-3-methylbutan-1-one
SMILES: O=C(C=1OC=2[C@@H](O)[C@](O)(C)CCC2C1CO)CC(C)C
Compound: Lystabactin C
SMILES: O=C(NCCCC[C@H](N)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)OC)CCCN(O)C=O)CC(=O)N)CCCN(O)C=O)CO)C1=C(O)C(O)=CC=C1
Compound: F1839-F
SMILES: O=C1N(CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3)CCCC(=O)OC
Compound: Scytonine
SMILES: O=C1C=2NC=3C=CC=CC3C2C(=C1C4=C(NC5=C4C=CC=C5)/C(/C(=O)OC)=C\C6=CC=C(O)C=C6)C(=O)OC
Compound: 2-hydroxy-6-methyl-8-methoxy-9-oxo-9H-xanthene-1-carboxylic acid
SMILES: O=C1C2=C(C(O)=CC=C2OC3=C1C(OC)=CC(=C3)C)C(=O)O
Compound: Bromomonamycin F
SMILES: BrC1CNN2C(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@@H]3C[C@@H](CN3C([C@H](N(C([C@H]4N(C([C@H]2C1)=O)NC[C@@H](O)C4)=O)C)CC(C)C)=O)C)C(CC)C)C(CC)C
Compound: RES-1214-1
SMILES: O=C(OC)C1=C(OC2=C(C(O)=CC(=C2)C)C(=O)O)C(O)=CC(=C1)OC
Compound: Circumdatin D
SMILES: O=C1N2[C@H](C3=NC=4C(O)=CC(=CC4C(N3C5=C1C=C(OC)C=C5)=O)OC)CCC2
Compound: Mabetaetolide A
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C(NC1C(CC)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(CC)C)C
Compound: NFX-4
SMILES: O=C1O[C@@H](C)[C@@H]([C@H]1CCCCC(C)C)O
Compound: Karuquinone C
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)[C@H]([C@@H]1CC(=O)C)C)O
Compound: SMTP-6
SMILES: O=C1N(C(C(=O)O)CC=2C3=C(C=CC=C3)NC2)CC4=C1C=C(O)C5=C4OC(C(O)C5)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Pneumocandin A0
SMILES: O=C1N2[C@H](C(=O)N[C@H](O)[C@H](O)C[C@@H](NC(=O)CCCCCCCC[C@H](C[C@H](CC)C)C)C(=O)N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H]1[C@H](O)CC(=O)N)=O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)[C@H](C2)C
Compound: Speradine G
SMILES: O=C1N(C=2C=CC=C3C2C1(O)[C@@H]4C(=O)NC([C@@H]4C3)(C)C)C
Compound: N-butyl asterrate
SMILES: O=C(OCCCC)C1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C(C)C=C1O
Compound: Carpatamide A
SMILES: O=C(NC1=C(O)C=C(O)C(=C1)CCC(=O)OC)/C=C/C=C/CC(C)C
Compound: Cytochalasin Z9
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=CC[C@@H](C[C@@](C=C1)(O)C)C)O)C)CC4=CC=CC=C4
Compound: Acutiphycin
SMILES: O=C1C([C@H](O)C(=CC[C@H](OC(=O)C[C@@]2(OC(C(=C[C@@H]1C)C)C[C@H](O)C2)O)CCCCC)C)(C)C
Compound: Sarcographol
SMILES: O1[C@H]2C=C3[C@]([C@H]([C@H](O)CC3)C)(C)C[C@H]2[C@@](C1)(O)C
Compound: 2-amino-8-(4-hydroxybenzoyl)-6-hydroxyphenoxazin-3-one
SMILES: O=C1C(N)=CC2=NC=3C=C(C(=O)C4=CC=C(O)C=C4)C=C(C3OC2=C1)O
Compound: Pyloricidin D
SMILES: O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)CO
Compound: Cochlate A
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](CCC(=O)OC)C)C)[C@H]4O[C@@](C2)([C@H](C(=C)C)C4)CCC(=O)O
Compound: Radicicol D
SMILES: ClC1=C(O)C=C(O)C2=C1CC(=O)CC3OC(C(C[C@H](OC2=O)C)O)C=C3
Compound: Oscillapeptin F
SMILES: S(=O)(=O)(OC[C@@H](OC)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](NCCCC[C@@H](N)C(=O)O)C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)CCC4=CC=C(O)C=C4)O
Compound: Ilanepyrrolal
SMILES: O=CC=1NC(COCCC2=CC=C(O)C=C2)=CC1
Compound: Phenochalasin B
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@@]4([C@H]2O4)C)CC5=CC=C(OC)C=C5)C
Compound: Cytochalasin Z23
SMILES: O=C1C(=CCC(=O)O[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H](C3C=CC[C@@H]1C)O4)C)CC5=CC=CC=C5)CO
Compound: Z-3-Methylpent-2-en-1,5-dioic acid
SMILES: O=C(O)/C=C(\CC(=O)O)/C
Compound: Lyngbyastatin 7
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)CCCCC)CCC(=O)N)C)=O)C(C)C)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4)[C@H](O)CC2
Compound: Nodulisporisteroid L
SMILES: O=C(O)[C@H]1[C@H]2[C@@](C3=C([C@H]4[C@]([C@@H](C(=O)C)CC4)(C)CC3)C[C@H]2O)(CC[C@@H]1O)C
Compound: Haplofungin F
SMILES: O=C(OC(C(O)C(O)C(=O)O)CO)C(C(=O)/C(=C/C(CC(CCCCC(O)C(O)CCCCCCCCCC)C)C)/C)C
Compound: 03219A
SMILES: O=C([C@@H]1[C@@]2([C@H](C3=C([C@@]4([C@H](C[C@@H](O)CC4)CC3)C)CC2)CC1)C)C
Compound: Atranone E
SMILES: O=C1C=C(C(C)C)[C@@H]2[C@@]1(CCC(=C3OC(=O)[C@@H]([C@@H]3C=C(CC2)C)[C@@H](O)C)C)C
Compound: Salinipostin D
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@H]2CO1)CC(C)C)OCCCCCCCCCCCCCC
Compound: Antimycin A1a
SMILES: O=C1O[C@H]([C@H](OC(=O)C(CC)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Oblongolide B
SMILES: O=C1OC[C@@]2([C@]1([C@@H]3[C@H](C[C@@](O)(C)CC3)C=C2)C)O
Compound: (S)-6,8-dihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid
SMILES: O=C(O)C1=C(O)C2=C(C[C@H](CCCCC[C@H](O)C)OC2)C=C1O
Compound: Lasiodipline A
SMILES: S([C@@]1(N(C(=O)[C@@H](SC)NC1=O)C)C)C
Compound: Ganoboninketal C
SMILES: O=C1[C@@H]2[C@]([C@H](C(=C)C)C[C@@H]([C@]23OC[C@@]4(C1)[C@]5(O[C@]6(CC[C@@]5(O6)C)CC)CC[C@@]34C)OC(=O)C)(CCC(=O)OC)C
Compound: Cryptoporic acid R
SMILES: O=C(OCCCC)[C@H]([C@@H](OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(CO)C)C)C(=O)O)CC(=O)OCCCC
Compound: 3-methoxy-5-methylphenyl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C(OC1=CC(OC)=CC(=C1)C)C2=C(O)C=C(O)C=C2C
Compound: 41-Demethylhomooligomycin B
SMILES: O=C1OC2C(C3(OC(C2C)CCC(C=CC=CCC(C)C(C(C(C(C(C(C(C(C(C(C=C1)C)O)C)=O)C)O)C)=O)(O)C)O)C)OC(C(C)CC3=O)CC(O)C)CC
Compound: Citreobenzofuran A
SMILES: O1C2=C(C(=C3[C@H]([C@H](O)CCC3=C2)C)C)C(=C1)COC
Compound: Australifunginol
SMILES: O=C1C(O)=C([C@](C(=O)CCO)(C)[C@H]2[C@H]1[C@H](O)[C@@H](C[C@@H]2O)C)[C@@H](CCCCCC)C
Compound: 2'-amino-2'-deoxyadenosine
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)N)[C@H](N)[C@@H]([C@H]1CO)O
Compound: Cardinalin-5
SMILES: O=C1C2=C(C(=O)C3=C1[C@H](O[C@H](C3)C)C)C(=O)C=4OC5=C(C4C2=O)C(OC)=CC6=C(O)[C@H]7C[C@H](C)O[C@@H]([C@]7(C(=C56)O)O)C
Compound: Clostomicin C
SMILES: ClC1=C(O)C(Cl)=C(CC)C(=C1O)C(=O)C(O)C2C(O)C(OC)C(OCC=3C(=O)OC(C(=O)C)CC=C(C=C(C(OC4OC(C(OC(=O)C(C)C)C(C4O)O)C)C(C=C(C(CC=CC3)O)C)CC)C)C)OC2C
Compound: Hydroleptosphol
SMILES: O=C1OC(O)(C)[C@@H]([C@]12[C@@H](C=C[C@H]([C@@H]2O)O)/C=C/[C@@H](C[C@@H](CC)C)C)O
Compound: Arugosin I
SMILES: O=C(C1=C(O)C(=CC=C1O)CC=C(C)C)C2=C(O)C=C(C)C=C2C=O
Compound: Anabaenopeptin HU892
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=CC=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)CCCN=C(N)N)[C@H](CC)C)CCC3=CC=C(O)C=C3)C
Compound: Acremonidin A
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C(O)C(=C(O)C=C5C4)C(=O)C6=C(C(O)=CC=C6O)C(=O)OC)OC(=O)C
Compound: Ganoleuconin A
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC([C@]4(CO)C)=O)C
Compound: Milbemycin beta11
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](O)[C@H]4O)C)O)C)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Ganosinensin C
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC[C@H](OC(=O)/C(=C\CC5=C(O)C=CC(=C5)O)/CCC=C(CCC=C(CO)C)C)C(O)(CO)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: 7-O-(alpha-glucosyl)-5,6-dihydrocineromycin B
SMILES: O=C1O[C@@H]([C@H](CCC=C(C)[C@H](CC[C@](C=C1)(O)C)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)C
Compound: F01-1358A
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C/C=C(/CCC[C@@H](C(=O)O)C)\C
Compound: 4-O-acetyl-rubiginone D2
SMILES: O=C1C2=C3C(=O)[C@@H](O)[C@@H](C)[C@H](C3=CC=C2C(=O)C4=C1C=CC=C4OC)OC(=O)C
Compound: Alchivemycin A
SMILES: O=C1ON2[C@H]([C@@H](O)[C@H](O)[C@H](CCCC[C@H]3[C@]([C@@H]4[C@@H](C(=C1C(=O)C2)O)[C@H]5[C@@H]([C@@H]6[C@H]4O6)C[C@@H](C)C[C@H]5C)(O3)C)C)[C@@H](O)[C@@H](O)C(=CC)C
Compound: SF2809-II
SMILES: O=C1N(C2=C(C=CC=C2)C(=C1[C@H](C3=CC=C(O)C=C3)C=4NC=5C=CC=CC5C4CCNC(=O)C)O)C
Compound: Marformycin E
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(C)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: Makinolide
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)[C@@H]([C@H](O)[C@H]([C@]2(O[C@H]([C@@H](C)[C@H](C2)OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)C(C)C)O)C)C
Compound: Ganoderic acid-V1
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)C(O)(CC/C=C(/C(=O)O)\C)C)C
Compound: Ergorine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CCC)=O)(NC(=O)[C@@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C)O)CCC2
Compound: 5-hydroxy-1-(3-methyl-3-buten-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
SMILES: O=C1C=C[C@H](O)[C@@H]2[C@]1(O2)C#CC(=C)C
Compound: 4′-Epialtenuene
SMILES: O=C1O[C@@]2(C(=C[C@H](O)[C@@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: Piloquinone
SMILES: O=C1C(=O)C2=C(O)C=CC=C2C=3C1=C(O)C(=C(C(=O)CCC(C)C)C3)C
Compound: Maculalactone F
SMILES: O=C1[C@@](O)(C2=CC=CC=C2)C3=C(C(=O)O[C@]3(CC4=CC=CC=C4)[C@H](C1)C5=CC=CC=C5)CC6=CC=CC=C6
Compound: Epicorazine C
SMILES: S1SC23N([C@@H]4[C@@H](O)[C@@H](O)CC([C@@H]4C2)=O)C(C15N([C@@H]6[C@@H](O)C=CC([C@H]6C5)=O)C3=O)=O
Compound: Penicimarin F
SMILES: O=C1OC(=C(CO)C=2C1=C(O)C=C(O)C2)CO
Compound: Maklamicin
SMILES: O=C1O[C@]23[C@@](C=C(CO)[C@@H](C2)C[C@H](O)C)(CC=C[C@H]([C@H]4[C@@](C(=C1C3=O)O)([C@H]5[C@@H](C[C@@H](C)CC5)C=C4)C)C)C
Compound: Alpha,alpha,6-Trimethyl-4-(3-hydroxy-5-methylphenoxy)-2,3-dihydrobenzofuran-2beta-methanol
SMILES: O1C2=C(C(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)C[C@@H]1C(O)(C)C
Compound: Bionectriol C
SMILES: O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)COC(=O)C)[C@H](C[C@H](C[C@H](CC)C)C)C)C)/C)C)/C)C)/C)C
Compound: Verrucarin E
SMILES: O=C(C1=CNC(=C1)CO)C
Compound: 2E,4Z-tanzawaic acid D
SMILES: O=C(O)/C=C/C=C\C1=C2C(=CC=C1C)C[C@@](O)(C)C[C@H]2C
Compound: 1H-Quinazoline-2,4-dione
SMILES: O=C1NC(=O)C=2C=CC=CC2N1
Compound: Hypelcin B-II
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)CCC(=O)O)(C)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)C2N(C(=O)C(NC(=O)C)(C)C)CCC2)(C)C)C)(C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)(C)C)(C)C
Compound: Shikometabolin D
SMILES: O=C1C2=C(C(O)=CC=C2O)C(=O)[C@H]3C1=C4[C@H](C=5C(O)=C6C(=O)C=CC(C6=C(C5[C@H]4[C@H]3C=C(C)C)O)=O)C=C(C)C
Compound: Astellolide D
SMILES: O=C1OCC2=C1C[C@@H](O)[C@@H]3[C@@]2(CCC[C@@]3(CO)C)C
Compound: (6Z)-3,4-trans-9-oxo-3-methyldodec-6-en-4-olide
SMILES: O=C1O[C@@H](C/C=C\CC(=O)CCC)[C@@H](C1)C
Compound: Trichovirin II 6a
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(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)CNC(=O)C(NC(=O)C)(C)C)C)CC(C)C)(C)C)CCC(=O)N)(CC)C)CC(C)C)(C)C)(CC)C)(C)C
Compound: Gutingimycin
SMILES: O=C1NC(=NC2=C1N(C=N2)C[C@]3(O)[C@@]4(OC=5C6=C(O)C=7C(=O)C(O)CC(C7C(=C6C=C(C5[C@H]8[C@@H]4O[C@@]3(O8)C(OC)OC)C)OC)O[C@@H]9OC([C@@H](OC(=O)C)C(C9)(O)C)C)O[C@@H]%10OC([C@](O)(C(=O)C)C(C%10)O)C)N
Compound: Scabronine E
SMILES: O=C(O)[C@]12C(C3=CC=C(C=O)C[C@@H]([C@]3(C)CC1)OC(=O)C)=C(C(C)C)CC2
Compound: Penostatin B
SMILES: O=C1C=C2[C@@H](C[C@@H](C2)O)[C@H]3[C@H]1O[C@H](C(C)=C3)/C=C/CCCCCCC
Compound: Pochonin H
SMILES: ClC1=C(O)C=C(O)C2=C1CC=3OC(CC=CC[C@H](OC2=O)C)=CC3
Compound: Madangolide
SMILES: O=C1OC(C(C)(C)C)CC(CCC(C(=O)N(C=CC=CCCC1C)C)C)C
Compound: Trichurusin D
SMILES: O=C1O[C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@H](CO)CCO)/C)C=C1)[C@H](C[C@H](CC(=C)C(O)C)C)C
Compound: Cordylactam
SMILES: O=C1C(O)=C(OC2=C1C(=O)N[C@H]2C)/C=C/CCC
Compound: Dihydroergosine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3C1CC(C)C)=O)(NC(=O)[C@@H]4CN([C@@H]5CC6=CNC=7C6=C(C5C4)C=CC7)C)C)O)CCC2
Compound: Nanaomycin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]34[C@@]1(O3)[C@@H](O[C@H](C4)CC(=O)O)C
Compound: Maltepolide C
SMILES: O=C1O[C@H](/C=C/[C@@H](OC)[C@@H](O)C)[C@@H]([C@@H]2O[C@@H](C=C([C@H](O)CC=CC=C(C([C@H](C=C1C)C)=O)C)C)[C@H](C2)OC)C
Compound: Mixirin C
SMILES: O=C1N2[C@@H](C(=O)NC(CC(=O)N[C@H](C(=O)N[C@H](CC3=CC=C(O)C=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(=O)N)=O)CO)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(=O)N)CCCCCCC(CC)C)CCC2
Compound: NG-012
SMILES: O=C1OC(CC(=O)OC(CC(=O)OC(CC=2C=C(O)C=C(C2C(OC(CC(OC(CC=3C1=C(O)C=C(O)C3)C)=O)C)=O)O)C)CO)C
Compound: 11-G-219g
SMILES: O=C1OC(=C(/C=C\CC)C=C1)C
Compound: Cucumin D
SMILES: O=C1C2=C([C@@]3([C@H](C(=O)C=C3C2)C)C)[C@H](C1(C)C)O
Compound: Strevertene E
SMILES: O=C1O[C@@H]([C@H](C=CC=CC=CC=CC=C[C@@H](O)[C@@H]([C@@H](C[C@@H](CCC[C@@H](C[C@@H](C[C@@H]([C@H]1C)O)O)O)O)O)C(=O)O)C)C(C)C
Compound: 7,8-dihydroxy-1-methylnaphtho[2,3-c]furan-4,9-dione
SMILES: O=C1C2=C(O)C(O)=CC=C2C(=O)C=3C1=C(OC3)C
Compound: Tricholomenyn A
SMILES: O=C1C(C#CC(=C)CCC=C(C)C)=C[C@@H](OC(=O)C)[C@H]2[C@@H]1O2
Compound: Oximidine III
SMILES: O=C1O[C@H](C[C@@H]2O[C@@H]2C=CC=CC=3C1=C(O)C=CC3)C/C=C/NC(=O)/C=C\C=N/OC
Compound: M-139603
SMILES: O=C1OCC(C1=C(O)[C@H]([C@@H]2[C@@H](/C=C(/[C@@H]3O[C@H](/C=C/[C@@H]([C@@H]4O[C@@H](C(OC)C)C[C@@H]4C)C)CC[C@H]3C)\CO)CCC[C@H]2C)C)=O
Compound: Fomefficinic acid C
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)[C@H](C1)O)C)CCC(=C)C(C)C
Compound: Trans-8-acetoxy-3-methyldodec-cis-6-en-4-olide
SMILES: O=C1O[C@@H](C/C=C\C(OC(=O)C)CCCC)[C@@H](C1)C
Compound: Melithiazol N
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C=2N=C(C3(OC3)C)SC2
Compound: Agaricic ester
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)COC(=O)C2=CC(Cl)=C(O)C(=C2)Cl
Compound: Pestaloficiol I
SMILES: O=C1C2=C(OC(C1)(C)C)C3=C[C@@H](C(O)(C)C)O[C@H]3[C@H](C2)O
Compound: 3,4-dihydro-3-heptantrienyl-8-hydroxyl-6-hydroxymethyl-5-methylisocoumarin
SMILES: O=C1O[C@H](/C=C/C=C/C=C/C)CC=2C1=C(O)C=C(CO)C2C
Compound: Phaeochromycin B
SMILES: O=C1OC(C2=C3C(=C(O)C=C2CCC)C(=O)C[C@H](C3)O)=CC(=C1)O
Compound: Squalestatin H1
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H](C2)O)C(=O)O
Compound: (S)-13-Methyltetradecan-2-ol
SMILES: O[C@H](CCCCCCCCCCC(C)C)C
Compound: 4-epi-8alpha-hydroxy-15-epi-brefeldin C
SMILES: O=C1O[C@@H](CCCC=C[C@H]2[C@H]([C@H](C=C1)O)CC[C@H]2O)C
Compound: Splenocin C
SMILES: O=C1O[C@H]([C@H](OC(=O)C(CC)C)[C@@H](CC2=CC=CC=C2)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Compound: Plusbacin B2
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@@H](C(N3[C@H](C(N[C@H]1[C@H](O)C(=O)O)=O)[C@H](O)CC3)=O)CO)=O)[C@@H](O)C(=O)O)=O)CCCN=C(N)N)CCC2)C)[C@H](O)C)CCCCCCCCCC(C)C
Compound: (E)-N-[3-[(2S,5S)-5-[3-[acetyl(hydroxy)amino]propyl]-4-hydroxy-3,6-dioxopiperazin-2-yl]propyl]-5-hydroxy-3-methylpent-2-enamide
SMILES: O=C1N(O)[C@H](C(=O)N[C@H]1CCCNC(=O)/C=C(/CCO)\C)CCCN(O)C(=O)C
Compound: 8'-O-methylasterric acid
SMILES: O=C(OC)C1=C(OC2=C(C(OC)=CC(=C2)C)C(=O)O)C(OC)=CC(=C1)O
Compound: Largamide B
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C(N[C@H](C(N\C1=C/C)=O)C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C=C(C)C)C(C)C)CC2=CC=C(O)C=C2)CCCC3=CC=C(O)C=C3)CCC(=O)O
Compound: (+)-fusicocca-3(16),10(14)-diene
SMILES: C12=C(C(C)C)CC[C@@]1(C[C@H]3C(=C)CC[C@H]3[C@H](CC2)C)C
Compound: Desertomycin B
SMILES: O=C1OC(C(C2OC(O)CC2)C)CC=CC(O)CC(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)C(OC3OC(C(O)C(C3O)O)CO)C=C(C(C(C=CC(C(C=CCCC(C(C(C(CCC=C1C)C)O)C)O)C)O)C)O)C)C)C
Compound: Papyracon A
SMILES: O=C1/C(=C/C(=O)C)/C[C@H](O)[C@@]23[C@@]1(OC(C)(C)[C@@H]2C3)O
Compound: 3beta,7beta-dihydroxy-12beta-acetoxy-11,15,23-trioxo-5alpha-lanost-8-en-26-oic acid methyl ester
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: 6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin A
SMILES: O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(=O)C4=C1[C@]5(O)[C@H](O)C[C@H]4O[C@@H]5C
Compound: Yatakemycin
SMILES: S(C=1NC=2C(OC)=C(O)C3=C(C2C1)CCN3C(=O)C=4NC=5C(=O)C=C6C7(C5C4)C(CN6C(=O)C=8NC=9C=C(O)C(=CC9C8)OC)C7)C(=O)C
Compound: (4S)-4-Methoxycepharosporolide C
SMILES: O=C1O[C@@H](CCC(=O)C[C@@H]([C@H](C1)O)OC)C
Compound: (S)-banchromene
SMILES: O=C(C1=C(N)C2=C(OC(C)(C)C=C2)C=C1)C[C@H](NC(=O)C)CO
Compound: Cordyceamide B
SMILES: O=C(N[C@H](C(=O)N[C@H](COC(=O)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)C3=CC=CC=C3
Compound: Astraeusin D
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](O)C/C=C(/CO)\C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Phomalactone deriv. III
SMILES: O=C1O[C@@H](/C=C/C(=O)O)[C@@H](OC(=O)/C=C/C(=C/C(CCCCC(O)C)C)/C)C=C1
Compound: Scabronine A
SMILES: O=C(O)[C@@]12C(=C(C(C)C)CC1)[C@@H]3[C@@]([C@H]4OC(O)[C@@H]([C@@H](C3)OC)[C@@H]4OC)(C)CC2
Compound: 15G256iota
SMILES: O=C1O[C@@H](CC(=O)O[C@@H](CC2=C(C(=O)O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(O)C3)C)=O)C)C(O)=CC(=C2)O)C)C
Compound: Lyngbyabellin B
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(C)C)SC2)C
Compound: A-79197-2
SMILES: O1C(OC2C(=CC(O)C(C2O)O)CO)C(O)C(O)C(C1CO)O
Compound: 1-(3-indolyl)-2R,3-dihydroxypropan-1-one
SMILES: O=C(C=1C2=C(C=CC=C2)NC1)[C@H](O)CO
Compound: Pestaphthalide B
SMILES: O=C1O[C@@H]([C@@H](O)C)C=2C1=C(O)C(=C(O)C2)C
Compound: Bromosalinosporamide
SMILES: BrCC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3
Compound: Roseopurpurin I
SMILES: O=C1O[C@H](CCC[C@@H]([C@]2(C(=O)[C@H](OC3=C(C(O)=CC(=C3)C)C)[C@](OC)(C)[C@@H](C2=O)O)C)CC(C4=C(C1)C=C(O)C=C4O)=O)C
Compound: Carquinostatin A
SMILES: O=C1C(=O)C2=C(NC3=C2C=C(CC=C(C)C)C=C3)C(=C1C)C[C@H](O)C
Compound: Halymecin C
SMILES: O=C(O[C@@H](C[C@@H](O)CC(=O)O)CCCCC)C[C@H](OC(=O)C)C[C@H](OC(=O)C[C@H](O)C[C@H](O)CCCCC)CCCCC
Compound: Phomallenic acid B
SMILES: O=C(O)CCCCCCC=[C@@]=CC#CC#CCCC
Compound: Dankastatin B
SMILES: ClC=1C(=O)[C@H](Cl)[C@@H]2OC[C@H](C[C@@]2(C1)O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Compound: (+)-cochlearol A
SMILES: O=C1C2=C(O)C=CC(=C2[C@]34O[C@H](CC[C@@]3(C1)C(=O)O)OC4)O
Compound: Inostamycin C
SMILES: O=C(C(C1OC(C2(OC(C(O)CCC)(CC)CC2C)O)(C)CC1C)CC)C(C(O)C(C3OC(O)(C(C)C(C3CC)O)CCC)C)C
Compound: Phaeoside
SMILES: O1[C@@](C=C)(CC[C@@H]2[C@@]1(CC[C@H]3[C@]2([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)CCC3(C)C)C)C)C
Compound: Melanocin A
SMILES: O=CN/C(/C(/C#N)=C/C1=CC(O)=C(O)C=C1)=C\C2=CC(O)=C(O)C=C2
Compound: (S,S)-Anacine
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@@H]2CCC(=O)N)=O)CC(C)C
Compound: 8-O-methylaverufin
SMILES: O=C1C2=C(O)C3=C(O[C@]4(CCC[C@@H]3O4)C)C=C2C(=O)C=5C1=C(OC)C=C(O)C5
Compound: 1'-hydroxyversicolorin B
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4[C@H]3[C@H](O)CO4)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Cyatha-3(18),12-diene
SMILES: C1(=CC[C@@]2(CC[C@@]3(C([C@H]2CC1)C(=C(C)C)CC3)C)C)C
Compound: Napsamycin C
SMILES: S(CCC(NC(=O)NC(C(=O)O)CC1=CC(O)=CC=C1)C(=O)NC(C(=O)N/C=C/2\OC(N3C(=O)NC(=O)CC3)C(C2)O)C(N(C(=O)C4NCC=5C=CC(=CC5C4)O)C)C)C
Compound: Ammonificin C
SMILES: BrC1=C(O)C=CC(=C1)C=2C3=C(OCC2OC4=CC(O)=CC=C4)C(=CC=C3O)[C@@H](O)CN
Compound: Dihydrosqualene
SMILES: C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)/C)(\CCC=C(C)C)/C
Compound: FK409
SMILES: O=[N+]([O-])[C@H](/C(=C/C(=NO)C(=O)N)/CC)C
Compound: DKxanthene 518
SMILES: O=C(NC(C(=O)O)CC(=O)N)/C(=C/C=C/C=C/C=C/C=C/C(=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C)/C
Compound: Ligustrone B
SMILES: O=C1C2=C(OC(=C1)C)C3=C(OC)C=4C(=O)CCC4C=C3C=C2O
Compound: Lynamicin C
SMILES: ClC1=C(Cl)C=C2C(C=3C(C=4C5=C(C=C(Cl)C(=C5)Cl)NC4)=CNC3)=CNC2=C1
Compound: Ascospiroketal A
SMILES: O=C(O)[C@@]1([C@@H]2O[C@]3(O[C@@H](/C=C/C=C\CC(OC(=O)C(C(O)C)C)C)CC3)C[C@@H]2OC1)C
Compound: Rulepidadiol
SMILES: O=C1C=C2[C@]([C@@H]3C(C)(C)[C@@H]3[C@@H]([C@@H]2O)O)(C)[C@@H](C1)C
Compound: Cyrneine C
SMILES: O=C1[C@]2([C@@H]([C@@H]3C(=CC([C@]3(C)CC2)=O)C(C)C)CC=C(C1)C=O)C
Compound: Melleolide R
SMILES: ClC1=C(OC)C=C(O)C(=C1C)C(=O)OC[C@H]2[C@@]3(O)[C@@]([C@H]4CC(C[C@H]4[C@@H]2O)(C)C)(C[C@H]3O)C
Compound: Haplofungin B
SMILES: O=C(OCC(O)C(O)C(O)C(=O)O)C(C(=O)/C(=C/C(CC(CCCCC(O)CCCCCCCCCCC)C)C)/C)C
Compound: Lobosamide B
SMILES: O=C1N[C@H](CC=CC=C(C=C(C=CC=C[C@@H](C[C@@H]([C@H]([C@@H]([C@H](C=CC=CC=C1)C)O)O)O)O)C)C)C
Compound: Gloeophyllol A
SMILES: OC1=C(C(=C(C)C2=C1[C@H](C(C)=C2)C)CCO)C
Compound: Desferrioxamine X2
SMILES: O=C1N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(CCC(N(CCCCNC(CC1)=O)O)=O)=O
Compound: 6-Desmethyl-10,11-didehydroepothilone D
SMILES: S1C(=NC(=C1)/C=C(/C2OC(=O)C[C@H](O)C(C(=O)C[C@@H](O)[C@H](CC=CC(=CC2)C)C)(C)C)\C)C
Compound: Actinoramide F
SMILES: O=C1NC(=O)[C@H](NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(N=CCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C)CN1
Compound: Pseudopyronine A
SMILES: O=C1O[C@H](CC(=C1CCCCCC)O)CCCCC
Compound: Cladobotric acid A
SMILES: O=C(O)/C=C/C=C/C=C/[C@@H]1[C@@](O)(C(=C[C@H]2[C@H]1CC=C(C2)C)C)[C@]3(O[C@@H]3[C@@H](CC)C)C
Compound: VM-44866
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)C5OC4C)C)O)C)C
Compound: Lepistol
SMILES: O=C1O[C@]2(C(=C)CO)C=C3C(=O)C[C@@H]([C@@]3(C)CC[C@@]2(C1)C)C(C)C
Compound: Greensporone D
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)C=CCC[C@@H](CC[C@@H](OC2=O)C)O
Compound: Stoloniferol B
SMILES: O=C1C2=C(O)C=C(O)C(=C2[C@H](C)[C@H](C1)C)C
Compound: 11-Hydroxy-aclacinomycin B
SMILES: O=C1C2=C(O)C3=C(C(C(=O)OC)[C@@](O)(CC)C[C@@H]3OC4OC(C(OC5OC(C6OC7OC(C)C(CC7OC6C5)=O)C)C(C4)N(C)C)C)C(=C2C(=O)C=8C1=C(O)C=CC8)O
Compound: Aeruginosin KT608A
SMILES: O=C(NCCCCN=C(N)N)[C@@H]1N(C(=O)[C@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)CC3=CC=CC=C3)[C@@H]4C[C@H](O)CC[C@@H]4C1
Compound: Hypomurocin B-3a
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(C)C)CO)CCC(=O)N)(C)C)(C)C)CC(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)(C)C)C)C)CC(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)(C)C)(C)C
Compound: (20S,22R,24R)-16,22-epoxy-3beta,14alpha,23beta,25-tetrahydroxyergost-7-en-6-one
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@H]4[C@@H]([C@H]([C@@H](O)[C@H](C(O)(C)C)C)O[C@H]4C3)C)(CC[C@@H]2[C@@]5([C@H]1C[C@@H](O)CC5)C)C
Compound: 3,4-dihydroxyacetophenone
SMILES: CC(=O)c1ccc(O)c(O)c1
Compound: Adametizine B
SMILES: S1S[C@@H](C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3C)C[C@]5(O)[C@H](O)C=C[C@H]([C@@H]5O4)O)=O
Compound: Aflaquinolone A
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@]3(C[C@@H](C(=O)CC3)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Compound: Coronatoquinone
SMILES: O=C1C(OC)=C(O)C(=O)C=2C1=C(O)C3=C([C@H](OC(=C3)C)O)C2O
Compound: (+)-vermelone
SMILES: O=C1C2=C(O)C=CC=C2C[C@@H](C1)O
Compound: Bacitracin D3
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(C)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@H](CC)C
Compound: Planktopeptin BL843
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2NC(=O)CC2)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=C(OC)C=C4)C)=O)[C@@H](O)C)C3=O)O)CC(C)C)C
Compound: Kapurimycin A3
SMILES: O=C1C2=C(OC(=C1)C3(OC3C=CC)C)C4=C(O)C5=C(C(OC(=O)C)CCC5=O)C=C4C=C2CC(=O)O
Compound: Oxaloterpin B
SMILES: O=C(O[C@H]1C([C@@H]2[C@@](C3=CC[C@@](C=C)(C)C[C@@H]3CC2)(C)CC1)(C)C)NC(=O)NCCO
Compound: Leucocin C-TA33a
SMILES: SCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC(=O)N)CC1=CC=C(O)C=C1)CC(=O)N)C(C)C)CC=2NC=NC2)C(=O)NC(C(=O)N)[C@H](O)C
Compound: Laetiposide B
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)CC1)C)CCC=C(C)C
Compound: (1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol
SMILES: O[C@H]1[C@@H](O)C(Cl)=C(Cl)C=C1Cl
Compound: (S)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid
SMILES: O=C(O)C1=C(O)C2=C(C[C@H](CCCCCCCO)OC2)C=C1O
Compound: Granadaene
SMILES: O=C(NC(C(=O)O)CCCN)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CC(OC1OC(C(O)C(C1O)O)C)C
Compound: T987 A
SMILES: O=C1N([C@H](C(=O)NCCCCC(=O)O[C@H](C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)CC(C)C)CC4=CC=CC=C4)C
Compound: Fusidilactone E
SMILES: O=C1O[C@@H](C)[C@@H]2[C@H]1[C@H](O)[C@@H](O)[C@H](/C=C\C(CC(CC)C)C)O2
Compound: Gageotetrin B
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCC(CC)C)CCC(=O)OC)CC(C)C)CC(C)C)CC(C)C
Compound: Microcystin-AR
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)CC2=CC=CC=C2)C)/C)=O)C)C)C
Compound: Mitibetaimol E
SMILES: O=C1C=CC(C(O)C2OC2(CC(C3C1(O3)C)O)C)(C)C
Compound: 1-chloro-3beta-acetoxy-7-hydroxytrinoreremophil-1,6,9-trien-8-one
SMILES: ClC=1C2=CC(=O)C(O)=C[C@@]2([C@@H](C)[C@H](C1)OC(=O)C)C
Compound: Merulinic acid B
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCC/C=C\CCCCCC[C@@H](O)C
Compound: (6E,10Z)-2'-O-methylmyxalamide D
SMILES: O=C(N[C@H](COC)C)/C(=C/C=C/C=C/C=C/C(=C\[C@H]([C@@H](O)/C(=C/C)/C)C)/C)/C
Compound: Aspertetranone D
SMILES: O=C1OC(=C(C)C2=C1[C@H](O)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C
Compound: Austrocortirubin
SMILES: O=C1C2=C(C(=O)C3=C1[C@@H](O)C[C@](C3)(O)C)C(O)=C(OC)C=C2O
Compound: Streptazone B2
SMILES: O=C1/C(/C2=CCCNC2=C1)=C/C
Compound: Greensporone F
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)C[C@H]3O[C@@H](CC[C@@H](OC2=O)C)CC3
Compound: 3-O-Acetyl-16a-hydroxytrametenolic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)C[C@H]1O)C)CCC=C(C)C
Compound: Cervimycin D
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C3C[C@@H]4[C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H]([C@@H](OC(=O)C(C(=O)O)C)CC8)C)CC7)C)CC6)C)CC5)C)C(=O)C(=C([C@@]4(C(C3=C2O)=O)O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@@H](O)CC%10)C)CC9)C)O)C(=O)N
Compound: Naphthospironone A
SMILES: O=C1OC2(C3(O)C(=O)C=4C(O)=CC=CC4C2(O)[C@@H]5C(=O)O[C@@H](C[C@]35O)C)CC=C1
Compound: Squalestatin H7
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@](CC/C(=C/C(CO)CC3=CC=CC=C3)/C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2O)O)C(=O)O
Compound: Promothiocin B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)NCC=3OC(C)=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H](C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=C)=C(O5)C)C)=O)=CS4)C)C(C)C
Compound: Lysergyl-L-valyl methyl ester
SMILES: O=C(NC(C(=O)OC)C(C)C)[C@@H]1C=C2C3=C4C(NC=C4C[C@H]2N(C1)C)=CC=C3
Compound: Ganoboninketal B
SMILES: O=C1C2=C(C(=O)C[C@H]([C@@]2(CCC(=O)OC)C)C(=C)C)[C@@]3(CC[C@H]4[C@]3(C1)CO[C@]5(CC)O[C@]4(CC5)C)C
Compound: Streptophenazine F
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)C(C(=O)OC)C(O)CCCCC(C)C)N=C2C=CC1
Compound: Aestivophoenin C
SMILES: O=C(O[C@@H]1O[C@H](C(O)C(C1O)O)C)C2=C3NC4=C(C=CC=C4CC=C(C)C)N(C3=CC=C2)CC=C(C)C
Compound: Corynechromone I
SMILES: O=C1C2=C(O[C@H](C1)CC(=O)C)C=C(O)C=C2CC(=O)O
Compound: 2-methylsulfinyl-4-hydroxy-6-methylthiophenyl-1-azoformamide
SMILES: [S@@](=O)(C1=C(N=NC(=O)N)C(SC)=CC(=C1)O)C
Compound: 4-O-demethylhypothemycin
SMILES: O=C1O[C@H](CC=CC(=O)[C@@H](O)[C@H](C[C@@H]2[C@@H](C=3C1=C(O)C=C(O)C3)O2)O)C
Compound: 6-heptyl-2H-pyran-2-one
SMILES: O=C1OC(=CC=C1)CCCCCCC
Compound: 1,1,2,4-Tetrabromo-oct-1-en-3-one
SMILES: BrC(Br)=C(Br)C(=O)[C@@H](Br)CCCC
Compound: Peniginseng A
SMILES: O=C(NCCC(=O)OC)C1=CC(O)=C(O)C=C1
Compound: Acidocin J-1132beta
SMILES: SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CCC=O)CC(=O)N)CCC1)CCCCN)C(C)C)C)CC=2NC=NC2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)N)CO)C
Compound: 2b-hydroxytrichoacorenol
SMILES: OC1C(=CC[C@@]2(C1)[C@@H]([C@H](O)C[C@@H]2C)C(C)C)C
Compound: Pentacecilide D
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](O)C(C5(C)C)=O)C)C)C
Compound: Spiropreubetaione A
SMILES: O=C1C=CC(C12C=CC3([C@H]2O)OC=4C=5C(C=CC4)=CC=CC5O3)=O
Compound: Anthracobic acid A
SMILES: O=C(O)/C=C/C=C/C(=C/C=C/C1[C@](O)(/C(=C/C)/C)[C@H]2O[C@H]2[C@H]3[C@H]1CC=C(C3)C)/C
Compound: Asperterrestide A
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(CC)C)C
Compound: 6-O-methylpapyracon C
SMILES: O=C1/C(=C/[C@@H](O)C)/C[C@H](O)[C@@]23[C@@]1(OC(C)(C)[C@@H]2C3)OC
Compound: 11-methoxy-17-formyl-17-demethoxy-18-O-21-O-dihydrogeldanamycin
SMILES: O=C1NC2=C(O)C(=C(C=O)C(=C2)O)C[C@@H](C[C@H](OC)[C@H](OC)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Semiplenamide G
SMILES: O=C(NC(COC(=O)C)C)[C@]1(O[C@@H]1CCCCCCCCCCCCCCC)C
Compound: Penisporolide A
SMILES: O=C1O[C@H]2C[C@]3(O[C@H](CCCC[C@@H](O)CC)CC3)O[C@H]2C1(C)C
Compound: Brevione B
SMILES: O=C1OC(=C(C)C2=C1C[C@]3(C(=CC[C@@H]4[C@@]3(CC[C@H]5[C@]4(CCC(C5(C)C)=O)C)C)C)O2)C
Compound: Corynecandin
SMILES: O=C(O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)COC(=O)/C=C/C=C\CCCCC)[C@H](OC([C@@H]1O)C3=C(O)C=C(O)C=C3CO)CO)/C(=C/C=C/CC(O)C(CC)C)/C
Compound: Chloctanspirone A
SMILES: ClC=1C(=O)[C@]2([C@@H]3/C(/C(=O)[C@](C2)(C)C([C@]3(O)C)=O)=C(\O)/C=C/C=C/C)[C@@H](O)[C@H](C1)O
Compound: Aspereline G
SMILES: O=C(N1[C@@H](CCC1)COC(=O)C)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C)(C)C)(C)C)C(C)C)(C)C)C(CC)C)(C)C)(C)C)CO)(C)C
Compound: Maremycin C2
SMILES: [S@](=O)(C[C@H]1NC(=O)[C@H]([C@H]([C@@]2(O)C(=O)N(C)C3=C2C=CC=C3)C)NC1=O)C
Compound: Trichovirin II 5
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(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)CNC(=O)C(NC(=O)C)(C)C)C)CC(C)C)(C)C)CCC(=O)N)(CC)C)C(C)C)(C)C)(CC)C)(C)C
Compound: Carneic acid B
SMILES: O=C(O)/C=C/C=C/[C@H]1[C@H](C(=C[C@@H]2[C@@H]1[C@@H](CC[C@H]2O)C)C)/C(=C/CO)/C
Compound: Tetrahydroaltersolanol E
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H]3[C@@H]1C[C@H](O)[C@](C3)(O)C
Compound: 3-deoxyaphidicolin
SMILES: O[C@]1([C@H]2C[C@@]3([C@@]4([C@H]([C@@](CCC4)(CO)C)CC[C@H]3C2)C)CC1)CO
Compound: Homohopan-31-ol
SMILES: OCCC([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C
Compound: Nodulisporic acid D1
SMILES: O=C(O)/C(=C/[C@H]1O[C@@]2(O)CC[C@]3([C@H]([C@@]2(C1)C)CC[C@@H]4[C@@]3(C=5NC=6C=C7C[C@@H]8C(OC(C=C8C7=CC6C5C4)(C)C)(C)C)C)C)/C
Compound: Milbemycin beta13
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C(C4=C1C=C(C)C(=C4)O)CO)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Dhilirolide N
SMILES: O=C1OC([C@]23O[C@@]45C(=O)[C@@]6(C[C@@](C2=C1)(C(=O)C)[C@]([C@]5(C(=O)O[C@H]4C)C6=C)(C)CC3=O)C)(C)C
Compound: (-)-hept-4-cis-en-6-yne-2,3-diol
SMILES: OC(/C=C\C#C)C(O)C
Compound: Agrocybyne B
SMILES: O=C(N)C#C/C=C/CCC
Compound: Virescenoside R2
SMILES: O=C1C2=C[C@@](C=C)(CC[C@@H]2[C@]3(C[C@@H](O)[C@@H]([C@@]([C@@H]3C1)(CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@@H]4O)O)CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)C)O)C)C
Compound: Panuosterone
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H](C(O)([C@H](O)CC(O)(C(C)C)C)C)CC3)(CCC2[C@@]4([C@H]1C[C@@H](O)[C@H](C4)O)C)C
Compound: Ergonine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1C(C)C)=O)(NC(=O)[C@@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)CC)O)CCC2
Compound: BE-22179
SMILES: S1SCC2N(C(=O)CNC(=O)C(NC(=O)C3=NC=4C(=CC=CC4)C=C3O)CSC(C(N(C(C(C1)N(C(=O)CNC(=O)C(NC(=O)C5=NC=6C(=CC=CC6)C=C5O)CSC(C(N(C2=O)C)=C)=O)C)=O)C)=C)=O)C
Compound: Melithiazol I
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C=2N=C(CC(C)C)SC2
Compound: NF00659A1
SMILES: O=C1OC(=C(C)C(=C1CC2C(=C)C(O)CC3C2(CCC4C3(CCC(OC(=O)/C=C/C=C/C(CC)C)C(O4)(C)C)C)C)O)C
Compound: Kynapcin-28
SMILES: O=C(OC)C=1OC=2C=C(O)C(=CC2C1C3=C(OC4=C3C=C(O)C(=C4)O)C(=O)O)O
Compound: Pyrizinostatin
SMILES: O=C1N(C(=O)[C@]2(NC(=O)N(N=C2N1C)C)CC(=O)C)C
Compound: D-788-15
SMILES: O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@@](O)(C)C[C@@H]3OC4OC(C(O)C(C4)N)C)C(=C2C(=O)C=5C1=C(O)C=CC5)O
Compound: Pyrroindomycin B
SMILES: ClC1=CC2=C(NC3=C2C=C(C(=O)O[C@H]4[C@@H](N)[C@H](O[C@H](C4)O[C@H]5[C@@](O)(C[C@H](O[C@@H]6[C@@H](O[C@H](OC7C8C=CC9CC(O)C(CC%10(C=C(C(C%11(C(C(=C(C9(C8CCC7)C)O)C(=O)N%11)=O)C%10)C)C(=O)O)C)CC)CC6)C)O[C@@H]5C)C)C)N3)C=C1
Compound: 4-isobutyl-1,2,3,5,6-pentathiepane
SMILES: S1S[C@H](SSCS1)CC(C)C
Compound: (2S)-2-[(9aR)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid
SMILES: O=C1C=2C(C=C(/C=C/C)N(C2)[C@H](C(=O)O)C)=CC=3[C@]1(OC(=O)C3C(=O)CCCCCCC)C
Compound: 2-methyl-2-bornene
SMILES: C1(=CC2CCC1(C2(C)C)C)C
Compound: Karnamicin A2
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)[C@@H](O)CCC(O)(C)C
Compound: Glycinocin A
SMILES: O=C1N2C(C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(N[C@@H](C(N[C@H](C(N3[C@H](C(NC[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/CCCCCCCCCC(C)C)CC(=O)O)=O)CCC3)=O)C(CC)C)=O)C(O)C)=O)CC(=O)O)CC(=O)O)CCCC2
Compound: 6-hydroxypunctaporonin B
SMILES: O[C@@]1(C=CC=C(CO)[C@@H]2[C@]([C@H](C1)O)(O)C(C2)(C)C)C
Compound: Neosarcodonin C
SMILES: O1C(O)[C@H]2[C@H](OC)C[C@H]3[C@]([C@@H]1[C@H]2OC)(CC[C@@]4(C3=C(C(CO)C)CC4)C)C
Compound: 6alpha-Hydroxypolyporenic acid C
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)[C@@H](C4)O)(C)CC3)C)=C[C@@H]2O)(C)CC1)(C)C
Compound: Tolybybetaidin B
SMILES: S(CC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC1=O)C(C)C)=O)[C@H](O)C)=O)C(CC)C)=O)[C@@H](O)C)=O)C(C)C)=O)C(C)C)=O)C(C)C)CC2=CC=CC=C2)C(C)C)=C/C)CCCN=C(N)N)CC3=CC=C(O)C=C3)C
Compound: Sequoiatone B
SMILES: O=C(OC)C/1=C2C(=COC(=C2)C)[C@](\C1=C/C(=O)[C@@H](CCCCCC)C)(O)C
Compound: Beauvericin J
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=C(O)C=C2)C)=O)C(C)C)=O)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C)C(C)C
Compound: Sclerotiotide C
SMILES: O=C1N([C@H](C(=O)NCCCC[C@@H](C(N([C@H]1C(C)C)C)=O)NC(=O)/C=C/C=C/C=C/C)C)C
Compound: 2-(4-hydroxyphenyl)ethenyl hexadecanoate
SMILES: O=C(OC=CC1=CC=C(O)C=C1)CCCCCCCCCCCCCCC
Compound: Trichorzin MA-1
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(C)C)CO)CCC(=O)N)(C)C)(C)C)CC(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)(C)C)CO)C)(C)C)(C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)CC(C)C)(C)C
Compound: Maaliane-4alpha, 8alpha, 9alpha-triol
SMILES: O[C@]1(C2[C@@]([C@H](O)[C@H](O)[C@@H]3C2C3(C)C)(CCC1)C)C
Compound: Terreolide D
SMILES: O=C1O[C@]2(OC[C@@H](CC[C@H]3C([C@H](C(=C)CC3)CC=C4C(=O)OCC4)(C)C)CC2)[C@]5(C)C[C@@]1(O)C(O5)(C)C
Compound: Chaetopenoid D
SMILES: O=C(O[C@H]1C=CC2=C[C@@H](O)[C@@H](C[C@@]2([C@H]1C)C)O)/C=C/C=C/[C@@H](CO)CC
Compound: Miuraenamide E
SMILES: BrC1=C(O)C=CC(=C1)C[C@H]2N(C(=O)[C@@H](NC(=O)CCCC=C(CC[C@@H](OC(C(NC2=O)C(=O)C3=CC=CC=C3)=O)C)C)C)C
Compound: Trichoderic acid
SMILES: O=C(O)/C(=C/C[C@@H]1O[C@H]2C=C(C)CC[C@H]2[C@@H]1C)/C
Compound: Corymbiferan lactone B
SMILES: O=C1OCC=2C(OC)=CC(=C3C2C1=C(O)C=C3COC=O)O
Compound: Linocin M18
SMILES: S(CCC(N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NCC(=O)N3C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(CC)C)CCC(=O)O)C)C)C)CCC3)CCC2)C(CC)C)CCC1)C)CC(C)C)CCC(=O)O)CCCNC(=N)N)CC4=CC=C(O)C=C4)CC(C)C)CC(=O)N)CC(=O)N)C
Compound: Craterellin B
SMILES: O1C2(C(O)C=C(C(C12)O)CO)CC3C(=CCC4C3(CCC(C4(C)C)O)C)C
Compound: (rel)-4beta,8-dihydroxy-3alpha-hydroxymethyl-4alpha-methyl-1,2,3,4-tetrahydronaphthalene-1-one
SMILES: O=C1C2=C(O)C=CC=C2[C@](O)(C)[C@H](C1)CO
Compound: Bravomicin A
SMILES: O=C1N(C(=CC2=C1C(=O)C3=C4C(=O)C5=C(O)C=6C(C(=O)C=CC6)=C(C5=C(C4=CC=C3C2=O)OC)O)C(CC)C)CC(=O)N7C(C(=O)NC(C7)C(=O)O)C
Compound: Lyngbyabellin C
SMILES: ClC(Cl)(CCCC1OC(=O)C=2N=C(C(O)COC(C=3N=C(C(OC(C1C)=O)C(O)(CC)C)SC3)=O)SC2)C
Compound: Myxotrichin B
SMILES: O=C1C2=C(C(O)=C(O)C=C2OC3=C1CO[C@@](C3)(OC)C)C(=O)O
Compound: F-10748 C2
SMILES: O=C(OC1C(OC2OC(C(O)C(C2O)O)COC(=O)CCCC)C(OC(C1O)C3=C(O)C=C(O)C=C3CO)CO)/C=C/C=C/CC(O)C(CCC/C=C/C(CC)C)C
Compound: 10-Desoxy-gamma-rhodomycinon
SMILES: O=C1C2=C(O)C3=C(C[C@](O)(CC)CC3)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: Leustroducsin A
SMILES: P(=O)(O[C@@H](C(O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1CC)CCN)C[C@@H](O)\C=C/C=C\[C@H]2C[C@@H](OC(=O)CCCC(C)C)CCC2)(O)O
Compound: 5-(Methylthio)canthin-6-one
SMILES: S(C=1C(=O)N2C=3C(=CC=NC3C1)C4=C2C=CC=C4)C
Compound: Terezine B
SMILES: O=C1N[C@](O)(C(OC)=N[C@]1(OC)C(C)C)[C@H](O)C2=CC=CC=C2
Compound: Xylariphthalide A
SMILES: O=C1O[C@H](O)C=2C1=C(OC)C(=CC2COC(=O)C)C
Compound: Chaetophenol A
SMILES: O=C(CC1=C(C(O)=C(C)C(=C1CC=C(C)C)O)C=O)C
Compound: Acremonidin E
SMILES: O=C(OC)C1=C(C(O)=CC=C1O)C(=O)C2=C(O)C=C(C)C=C2O
Compound: 3-hydroxy-2-methoxy-5-methylpyridin-2(1H)-one
SMILES: O=C1NC(=CC(=C1OC)O)C
Compound: Pyrrolocin B
SMILES: O=C1N[C@H](CO)C(C1=C(O)[C@]2([C@@H](C(=C[C@H]3[C@@H]2CC[C@@H](C3)C)C)/C=C/C=C/C[C@H](O)C)C)=O
Compound: Balmoralmycin
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(=CC3)[C@@H]4O[C@@H]([C@@H](OC(=O)/C=C/C=C/CCCCC)[C@@H](C4)O)C)C5=C(O)C=C(C)C=C5C=C2O
Compound: Penochalasin F
SMILES: O=C1[C@]23C(=O)NC([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@H](C)C=C([C@H](C(CC1)=O)O)C)O4)C)CC=5C6=C(C=CC=C6)NC5
Compound: 6,8-Dihydroxy-3-hydroxymethylisocoumarin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)CO
Compound: Nocardiopyrone A
SMILES: O=C1OC(=C(CC(C)C)C(=C1C)O)CCC(C)C
Compound: Kapurimycin A1
SMILES: O=C1C2=C(OC(=C1)C3(OC3CCC)C)C4=C(O)C5=C(C(OC(=O)C)CCC5=O)C=C4C=C2CC(=O)O
Compound: Spirobrocazine B
SMILES: S([C@@]12N(C(=O)[C@]3(OC=4C=CC=CC4C3)NC1=O)C=5C(O)=CC=CC5C2)C
Compound: Bacilosarcin B
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2O[C@](O)([C@H](C)N[C@H]2CC(=O)N)C)CC(C)C)CC=3C1=C(O)C=CC3
Compound: (R)-3,4-diguanidinobutanoyl-(S)-tyrosine
SMILES: O=C(O)[C@@H](NC(=O)C[C@@H](N=C(N)N)CN=C(N)N)CC1=CC=C(O)C=C1
Compound: Dorrigocin A
SMILES: O=C1NC(=O)CC(C1)CCCC(=O)C(C(O)/C(=C/C(C(O)C(OC)/C=C/CC/C=C/C(=O)O)C)/C)C
Compound: Austamide
SMILES: O=C1N2C=CC(C)(C)C3(C[C@H]2C(=O)N4C1=CCC4)NC=5C=CC=CC5C3=O
Compound: Guignardone L
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C/C=C/C(=O)C)C)C)[C@@H](O)C[C@@H]1OC
Compound: Cordypyridone D
SMILES: O=C1N(OC)C=CC2=C1[C@H]3[C@](C[C@H](C)[C@@H]([C@@H]3C)O)(C)[C@@H](O2)C
Compound: Fusaristatin B
SMILES: O=C1NCC(C(=O)NC(C(=O)OC(C(C(NC1=C)=O)C)CCC(C(=O)/C=C/C(=C/CCC(CCCCCC)C)/C)C)CCCC(=O)O)C
Compound: Salinamide E
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@H]([C@H](O)C(C)C)C)C(=O)N[C@H](C(=O)N[C@H](C2=CC=C(OC)C=C2)C(N([C@@H](C(N[C@H](C(N[C@@H]1CO)=O)[C@H](O)C)=O)CC3=CC=CC=C3)C)=O)[C@H](CC)C)C
Compound: FR90I537
SMILES: S1C=2C(SCCNC(=O)CCNC(=O)[C@H](O)C(CO)(C)C)=C(O)C3=CC=CC=C3C2NC(C1)=O
Compound: Sorbicatechol B
SMILES: O=C1/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@](O)(C)C([C@@]1([C@H](C3=CC(OC)=C(O)C=C3)C2)C)=O
Compound: VM44868
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)CC3)O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C(C(=O)C4)C)O)CO)C)C
Compound: 3-hydroxyglyantrypine
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](O)NC([C@H]2CC=4C5=C(C=CC=C5)NC4)=O
Compound: Chrysoarticulin C
SMILES: O=C1O[C@H]([C@H](O)[C@@H](CC)C)C=2C1=C(O)C(=CC2C)C
Compound: Colobetaolactone F
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H](C5OC(=O)C(C)=CC5)C)C[C@H]4OC(=O)C)(C)C[C@@H](C3C=C2C=C1)O)C)(C)C
Compound: MR566B
SMILES: OC1([N+]#[C-])C=CC(C1O)(O)C(O)C
Compound: 7-Acetonyl-5-hydroxy-6-methyl-1,4-NQ
SMILES: O=C1C2=C(O)C(=C(CC(=O)C)C=C2C(=O)C=C1)C
Compound: Trichocladinol E
SMILES: O=C1O[C@@]2(O[C@H]3[C@@]1([C@@H](C=C[C@@H]3O)C)[C@@H]2O)C
Compound: Macrophorin E
SMILES: O=C1C=C([C@@H](O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C)COC(=O)CC(=O)O
Compound: Streptophenazine H
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)C(C(=O)OC)C(O)CCCC(O)(C)C)N=C2C=CC1
Compound: Lucidimine B
SMILES: O1C2=C(C=3N=CC4=C(C3C1)CCC4)C=C(O)C=C2
Compound: (Z)-2-hexylpent-2-enedioic acid
SMILES: O=C(O)/C(=C\CC(=O)O)/CCCCCC
Compound: Pyxipyrrolone A
SMILES: O=C1NC(=C)C2=C1C3=C([C@](/C(=C/C=C/C=C/C([C@H](O)C(C)C)C)/C)(C)[C@@H]2C(=O)O)CC[C@H]([C@@H]3C)O
Compound: 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene
SMILES: C1(=CCC2=C(C(C)C)CCC2(C)CC3C1CCC3C)C
Compound: Dimethyl pentasulfide
SMILES: S(SSC)SSC
Compound: Vertihemiptellide B
SMILES: S1S[C@]2(NC(=O)[C@](SS[C@@]3(C(N([C@]1(C(=O)N3)CC4=CC=CC=C4)C)=O)CO)(CC5=CC=CC=C5)NC2=O)CO
Compound: Anithiactin A
SMILES: S1C(=NC(=C1)C(=O)OC)C2=C(NC)C=CC=C2
Compound: 4-dehydroxyaltersolanol A
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@H](O)[C@@H](O)[C@](C3)(O)C
Compound: JBIR-97
SMILES: O=C1C2=C(O)C3=C(O)C=CC=C3C(C24C=C([C@H]1C5=C(O)C=6C(O)=C7C(=O)CCC(C7(C(=O)OC)OC6C=C5C4)O)C)OC(=O)C
Compound: Aspergillicin E
SMILES: O=C1O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N3[C@H](C(N([C@H](C(N[C@H]1[C@@H](CC)C)=O)CC4=CC=C(OC)C=C4)C)=O)CCC3)=O)[C@H](CC)C)C
Compound: F-16438 B
SMILES: O=C(O)C1=C(O)C=CC=C1CC(=O)CCCCCCCCCCCCCCCC(OC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC([C@@H](O)C(C2OC(=O)C)O)CO)CO)C
Compound: (Z)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-(4-hydroxybenzylidene)-4-methyldihydrofuran-2(3H)-one
SMILES: O=C1O/C(=C\C2=CC=C(O)C=C2)/C(C1C3=CC(O)=C(CC=C(C)C)C=C3)C
Compound: Kibdelone C
SMILES: ClC=1C2=C(O)C3=C(C4=C(O)C=5C(=O)C6=C([C@H](O)C[C@H]([C@H]6O)O)OC5C(=C4CC3)OC)C(=C2C(=O)N(C1CCC)C)O
Compound: methyl (Z)-3-(3,4-dihydroxyphenyl)-2-formamidoacrylate
SMILES: O=C(OC)/C(/NC=O)=C/C1=CC(O)=C(O)C=C1
Compound: (3R*,4S*)-3,4-dihydroxy-7-methyl-3,4-dihydro-1(2H)-naphthalenone
SMILES: O=C1C2=C(C=CC(=C2)C)[C@H](O)[C@@H](C1)O
Compound: 9'-hydroxyaloesaponarin II
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=CC(=C3)O)CO
Compound: S14-95
SMILES: O=C1OC(C2=CC=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)C)CC5)(C)C)CC[C@]4(O3)C)C
Compound: Penicisochroman F
SMILES: O=C1C2=C(C3=C(CC(OC)(C)OC3)C=C2)O[C@H]1C(C)C
Compound: Vioprolide A
SMILES: S1C2=NC(C1)C(=O)N/C(/C(=O)N3C(C(=O)NC(C(=O)N(C(C(C)C)C(OCC(C(NC(C(NC(C(N4C2CC4C)=O)CC(C)C)=O)C)=O)O)=O)C)C(O)C)CCCC3)=C\C
Compound: 2-sec-Butyl-5-isobutyl-3-methoxypyrazine
SMILES: O(C1=NC(=CN=C1[C@H](CC)C)CC(C)C)C
Compound: Ascosalipyrrolidinone B
SMILES: O=C1NC(OC)(C)C=C1C(=O)[C@@H]2[C@@H](C(=C[C@H]3[C@@H]2[C@H](C[C@H](C3)C)C)C)/C(=C/C)/C
Compound: Nai414-B
SMILES: ClC=1NC(C(=O)N[C@H]2[C@H](O)C[C@H](O[C@@H]3[C@H]4C=C[C@H]5CCCCC=C[C@@]6([C@]7(C(C(=C([C@]5([C@H]4CC[C@@H]3C)CC)O)C(=O)O7)=O)C[C@H](CC)C(=C6)C(=O)O)C)O[C@@H]2C)=C(C1Cl)Cl
Compound: Anabaenopeptin NZ825
SMILES: O=C1N(CC(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=CC=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CCC4=CC=CC=C4)C
Compound: Moenomycin-B2
SMILES: P(=O)(OC1OC(C(=O)N)C(O)[C@@H](C1OC2OC(C(OC3OC(C(O[C@@H]4OC(C(=O)NC5=C(O)CCC5=O)[C@H](O)C(C4O)O)[C@@H](C3NC(=O)C)O)C)[C@@H](C2NC(=O)C)O)COC6OC(C(O)C(C6O)O)CO)OC(=O)N)(OC[C@@H](OC/C=C(\CC/C=C/C(CCC(=C)C/C=C(/CCC=C(C)C)\C)(C)C)/C)C(=O)O)O
Compound: Ruakuric acid
SMILES: O=C(O)C1OC2=C(C(O)=C(C(=O)C)C=C2)C(C1)OC
Compound: Botryosphaerone D
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@H](O)[C@H](C1)O)CC
Compound: Graphislactone B
SMILES: O=C1OC2=C(O)C(OC)=CC(=C2C=3C1=C(OC)C=C(OC)C3)C
Compound: BCA 10
SMILES: O=C1C(=C(O)C(OC)CC1)CC2C(=CCC2(O)C)C(CC/C=C(/CO)\C)C
Compound: A-500359 M2
SMILES: S1C[C@@H](NC(=O)C=2O[C@@H](O[C@H](C(=O)N)C3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3OC)O)[C@@H](O)[C@@H](C2)O)C(=O)N[C@@H](C1)C
Compound: Amycocyclopiazonic acid
SMILES: O=C1N2C([C@@H]3CC=4C=CC=C5C4C([C@@H]3[C@@H]2[C@@H](C1)O)=CN5)(C)C
Compound: Cladosporide A
SMILES: O=C[C@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@@H](CO)C)C)C)C)C
Compound: 10,11-epoxyguaian-13-ol
SMILES: O1[C@]2([C@H]3[C@@H]([C@H](C)CC3)C[C@H]([C@@]1(CO)C)CC2)C
Compound: Pteratide III
SMILES: O=C1O[C@@H]([C@H](N(C(=O)C2=CC=CC=C2)C)C(=O)N([C@H](C(=O)N[C@@H](C(C)C)C(N[C@H](C(N([C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)C)=O)C(C)C)=O)CC3=CC=CC=C3)C)C
Compound: PGL K8
SMILES: O=C(OC(CC1=CC=C(O[C@H]2OC([C@@H](O)C(C2OC)O[C@H]3OC([C@@H](O)C(C3OC)O[C@H]4OC([C@H](O)C(C4OC)O)C)C)C)C=C1)CC(OC(=O)C(CCC)C)CCCCC(C(OC)CC)C)C(CCC)C
Compound: Baumin
SMILES: O=C1OC(=CC(=C1[C@H]2C(=O)C=C(CC(=O)OC)O[C@@H]2C3=CC(O)=C(O)C=C3)O)/C=C/C4=CC(O)=C(O)C=C4
Compound: 26,27-dihydroxylanosta-7,9(11),24-trien-3,16-dione
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC=C(CO)CO)C)C(C4)=O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: 9-methoxyrebeccamycin
SMILES: ClC1=C2N(C=3C=4NC=5C(Cl)=CC=CC5C4C6=C(C3C2=CC(=C1)OC)C(=O)NC6=O)[C@@H]7O[C@@H]([C@@H](OC)[C@@H]([C@H]7O)O)CO
Compound: (4beta)-4,4-O-dihydrocrinipellin A
SMILES: O=C1[C@]2([C@@]3(C[C@H]4[C@@]25O[C@@H]5[C@@H](O)C4=C)CC[C@@H]([C@]3([C@H]1O)C)C(C)C)C
Compound: Glisoprenin F
SMILES: OC(CCC(O)C(O)(C)C)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C)C)C)C)C
Compound: Lobosamide C
SMILES: O=C1N[C@H](CC=CC=C(C=C(C=CC=C[C@@H](C[C@@H](C[C@@H]([C@H](C=CC=CC=C1)C)O)O)O)C)C)C
Compound: 7-oxo-ganoderic acid Z
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H](CC/C=C(/C(=O)O)\C)C)C)C
Compound: Pestalafuranone F
SMILES: O=C1OCC(=C1C=CC)C=CCC
Compound: JS-1
SMILES: O=C(O)[C@H]1N=CC=2C=C(O)C(=CC2C1)O
Compound: 3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
SMILES: O=C1O[C@H](CC=2C1=C(O)C(OC)=CC2C)C
Compound: Tryptoquialanine A
SMILES: O=C1N(C(=NC2=C1C=CC=C2)[C@@H](OC(=O)C)C)[C@H]3C(=O)O[C@@]4(C3)C5=C(C=CC=C5)N6[C@H]4N(O)C(C)(C)C6=O
Compound: Micropeptin HA983
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC([C@H]([C@H](OC([C@@H](NC2=O)[C@H](CC)C)=O)C)NC(=O)[C@@H](NC(=O)C)CCC(=O)N)=O)CC[C@H]3O)CC4=CC=CC=C4)C
Compound: EI-1941-1
SMILES: O=C1C2=C(C(OC(C2)CCC)O)C(O)C3C1O3
Compound: Nobilamide F
SMILES: O=C/1O[C@@H]([C@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(N[C@H](C(N\C1=C/C)=O)C)=O)C
Compound: Truncatone B
SMILES: O=C1C2=C(O)C=CC=C2C3=C4CCC(C=5C4=C([C@]3(C1)O)C=CC5O)=O
Compound: Sterhirsutin E
SMILES: O=C1C(OC(=O)[C@@]2(C[C@H]3[C@@]4(C(=C(O)C([C@]4(O)C[C@H]3C2)=O)C)C)C)=C5C[C@H]6C[C@@](C[C@H]6[C@@]5(C1=C)C)(C(=O)O)C
Compound: A-500359 H
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2OC([C@H](O[C@@H]3OC(C(=O)O)=C[C@H]([C@@H]3O)O)C(=O)N)[C@H]([C@H]2O)O
Compound: Acremonide
SMILES: O=C1OC(=C)C=2C1=C(OC)C=C(OC)C2C
Compound: (+)-applanatumol X
SMILES: O=C1C2=C(O[C@@H]3[C@H]1[C@@H](C(=O)O)CC3)C=CC(=C2)O
Compound: Streptophenazine J
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)[C@@H](O)[C@H](C(=O)OC)CCCCCC(CC)C)N=C2C=CC1
Compound: 6-demethylvermistatin
SMILES: O=C1C(=COC(=C1)/C=C/C)[C@H]2OC(=O)C=3C2=C(OC)C=C(O)C3
Compound: O-desmethylgreensporone C
SMILES: O=C1O[C@H](CCCCCC=CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Pseudomycin-C'
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)CCCCCCCCCCCCC)=O)CCN)=O)CC(=O)O)=O)CCCCN)CCN)C(O)C)=C\C)C(O)C(=O)O
Compound: Hanabiratakelide A
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)O
Compound: O-thaxtomin A
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=C(O)C=CC=C4)N(C3=O)C)C)=CC=C1
Compound: Ratjadone D
SMILES: O=C1O[C@@H](/C=C/C(=C\[C@@H](C/C=C/C=C/C[C@H]2O[C@@H](/C=C/C)[C@@H](C)[C@@H](C2)O)CC)/C)CC=C1
Compound: 9-methoxy-6-(2-methoxycarbonyl-2,4-dimethyl-3,5-dioxoheptyl)phenazine-1-carboxylic acid
SMILES: O=C(O)C=1C2=NC=3C(=C(C=CC3OC)CC(C(=O)OC)(C(=O)C(C(=O)CC)C)C)N=C2C=CC1