MonarchInit/C3PO huggingface dataset:
Compound: Heptemerone E
SMILES: O=C1C=2C3=C([C@@]4(O)C(=O)[C@@H](O)[C@H]([C@]4(C)CC[C@@]3(C)CC1)C(C)C)OC2
Compound: 1-(2-hydroxy-6-methoxy-phenyl)-butan-1-one
SMILES: O=C(C1=C(OC)C=CC=C1O)CCC
Compound: (3S,4R)-3,4,5-trihydroxy-1-tetralone
SMILES: O=C1C2=C(C(O)=CC=C2)[C@@H](O)[C@H](C1)O
Compound: 24-epicampesterol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C
Compound: N'-Methylniphimycin
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC(C1C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CC(CCC/C=C/CCCNC(=NC)NC)C)C
Compound: Phellinone
SMILES: O=C1[C@H]([C@H](/C=C/C2=CC(=O)OC2)C(C)(C)CC1)C
Compound: Arecoic acid E
SMILES: O=C(O)C1=C([C@@H](O)C[C@@H]2[C@@]1(CCC[C@@]2(C(=O)O)C)C)C
Compound: Enniatin J2
SMILES: O=C1O[C@@H](C(=O)N(C(C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C(C)C)C)C(C)C)C)C)C(C)C
Compound: Isocryptoporic acid I
SMILES: O=C(O)[C@H](OC[C@H]1C(=CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)O)C)C)[C@@H](C(=O)O)CC(=O)O
Compound: Mycoleptodiscin A
SMILES: O=C1C(=O)C=C2[C@]3([C@@H]([C@@]4([C@H](C(CCC4)(C)C)CC3)C)CC=5C2=C1NC5)C
Compound: Engyodontiumone A
SMILES: O=C1C2=C(C(OC)=CC=C2OC3=C1C(O)=CC(=C3)CO)C(=O)OC
Compound: Alternarosin A
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C)C=COC=C5C2)C
Compound: Alpha-ergocryptinine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CC(C)C)=O)(NC(=O)[C@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C(C)C)O)CCC2
Compound: Oscillaginin A
SMILES: ClCCCCCCC[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O)CCC1=CC=C(O)C=C1)C(C)C)C)CO
Compound: Diatretol
SMILES: O=C1N[C@](O)(C(=O)N[C@]1(OC)CC(C)C)CC2=CC=CC=C2
Compound: Marinactinone A
SMILES: O=C1C(=C(OC(=C1C)CCCCC(C)C)OC)C
Compound: Flamvelutpenoid B
SMILES: O1C2=C(C=C(O)C(=C2)C)[C@@]3(C)C[C@@H]1[C@@H](O)C3(C)C
Compound: Dihydrophomopsolide A
SMILES: O=C1OC(C(OC(=O)/C(=C/C)/C)C=C1)CCC(=O)C(O)C
Compound: (E)-4-[(1S,2S,6S)-3-[(E)-hept-1-enyl]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
SMILES: O=C1C=C(/C=C/CCCCC)[C@H](O)[C@]2([C@@H]1O2)C/C=C(/C(=O)O)\C
Compound: 2'-hydroxyzaeralanol
SMILES: O=C1O[C@H](CCCC(O)CCCC(CC=2C1=C(O)C=C(O)C2)O)C
Compound: [Val7]lichenysin G15
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCC(CC)C
Compound: Traversiadiene
SMILES: C1(=CCC2[C@@](CC[C@@H]2C(=C)C)(C)C[C@H]3[C@@H]1CC[C@H]3C)C
Compound: Methy 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate
SMILES: O=C(OC)C1=C(C(O)=CC(=C1)OC)C(=O)C2=C(O)C=C(C)C=C2O
Compound: Aflaquinolone E
SMILES: O=C1NC2=C(C(O)=CC=C2)[C@@]([C@@H]1OC)(O)C3=CC=CC=C3
Compound: 7-hydroxydehydroaustin
SMILES: O=C1OC([C@]2(C(=C)[C@@]34O[C@]56C(=O)O[C@]([C@@H]3OC(=O)C)(C)C([C@]6([C@]4(C)[C@H](C2)O)C(=O)O[C@H]5C)=C)C=C1)(C)C
Compound: Ammosamide A
SMILES: ClC1=C(N)C2=NC(C(=O)N)=CC3=C2C(=C1N)N(C3=S)C
Compound: 21978C1(D-Asn11)
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCC(CC)C)CC=2C3=C(C=CC=C3)NC2)CC(=O)N)CC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C)C(N[C@H](C(NCC(N[C@@H](C(N[C@H](C(N[C@H]1CC(=O)C4=C(N)C=CC=C4)=O)C(CC(=O)O)C)=O)CC(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)CCCN)C
Compound: Oxirapentyn D
SMILES: O1[C@]23[C@@H](OC(C)(C)[C@@H](C2)O)[C@@H]4[C@@](O)(C#CC(=C)C)[C@H]([C@@H]3O)O[C@]1(O4)C
Compound: 7-Hydroxy-1(3H)-isobenzofuranone
SMILES: O=C1OCC=2C1=C(O)C=CC2
Compound: Dothideoisoflavanone
SMILES: O=C1C2=C(OC[C@@]1(O)C3=CC=C(O)C=C3)C=C(O)C=C2O
Compound: Wortmannilactone I1
SMILES: O=C1O[C@H]2[C@@H](C)C([C@@]1(C2(/C=C/C=C/C=C/C=C(/[C@@]3(C=C([C@@H](C)O[C@@H]3OC)C)C)\C)C)C)=O
Compound: Aspernigerin
SMILES: O=C(N1C2=C(C=CC=C2)CCC1)CN3CCN(CC(=O)N4C5=C(C=CC=C5)CCC4)CC3
Compound: Heliconol C
SMILES: O=C(O)CCCCCCCC[C@H]1O[C@]2(O)CC[C@@H]([C@@]2([C@@H]1O)O)O
Compound: Chaetomugilin B
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3[C@H]4C(=O)O[C@@H]([C@H]([C@]4(O[C@@]3(C1=O)C)OC)C)C
Compound: 24-methylenecholesterol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C
Compound: Erinacerin I
SMILES: O=C1N(CC2=C1C=C(O)C(=C2O)C/C=C(/CCC(=O)OC)\C)CCO
Compound: L-691936
SMILES: O=C1N2[C@H](C(=O)NC[C@H](O)C[C@H](NC(=O)CCCCCCCCC(CC(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)CC4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)[C@H](C2)C
Compound: Fumonisin FP1
SMILES: O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(O)CCCCC(O)CC(O)C([N+]1=CC(O)=CC=C1)C)C)C(CCCC)C)CC(=O)O
Compound: 7-hydroxyergosterol
SMILES: OC1=C2C([C@]3(CC[C@@H](CC3=C1)O)C)CC[C@]4([C@H]2CCC4[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Sequoiamonascin B
SMILES: O=C1C2=C(C[C@@]3(OC(=O)C=C3)OC2)C[C@H]4[C@]1(OC(=O)[C@@H]4C(O)CCCCCCC)C
Compound: Pyrenochaetic acid F
SMILES: O=C(O)C1=CC(OC)=C(C(=O)CCCOC(=O)C)C(=C1)C
Compound: Deoxynyboqionone
SMILES: O=C1C=2N(C(=O)C=C(C2C(=O)C3=C1NC(=O)C=C3C)C)C
Compound: 6,8-dihydroxy-1-methylisochroman-3-one
SMILES: O=C1O[C@H](C=2C(O)=CC(=CC2C1)O)C
Compound: 1-(1,3-Dihydro-4-hydroxy-1-isobenzofuran
SMILES: O1C(C=2C=CC=C(C2C1)O)CC(O)C(O)C
Compound: Cyclo-(L-Ala-L-Tyr)
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC2=CC=C(O)C=C2)C
Compound: Pentalenolactone P
SMILES: O=C1OC[C@H]2C(C(=O)O)=C[C@H]3[C@]2([C@]14OC4)C[C@]5(C)[C@H]3C5
Compound: Stemphone B
SMILES: O=C1C=2OC3(C(C4(C(OC(C(O)(C)C)CC4O)CC3)C)C(C2C(=O)C=C1C(C(OC(=O)C)/C(=C/C)/C)C)O)C
Compound: Brasilamide D
SMILES: O=C(N)/C(=C/C(=O)CC12C3[C@@H](C(COC(=O)C)(CC1C3)OC2)C)/C
Compound: [(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-[[(3R)-3-decanoyloxydodecanoyl]amino]-3,4-dihydroxy-6-phosphonooxyoxan-2-yl]methoxy]-3-[[(3R)-3-dodecanoyloxydodecanoyl]amino]-6-(hydroxymethyl)-5-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)O)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: Thelephantin B
SMILES: O=C(OC1=C(O)C(=C(OC(=O)CCCCC)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)C4=CC=C(O)C=C4
Compound: Oscillarin
SMILES: O=C(NCCC1=CCN(C1)C(=N)N)[C@H]2N(C(=O)C(NC(=O)[C@H](O)CC3=CC=CC=C3)CC4=CC=CC=C4)C5CC(O)CCC5C2
Compound: 5-Chloroemodin
SMILES: ClC1=C2C(=O)C3=C(C(O)=CC(=C3)C)C(C2=C(O)C=C1O)=O
Compound: Virescenoside U
SMILES: O=C1C2=C[C@@](C=C)(CCC2[C@]3(CCC([C@@]([C@@H]3C1)(CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)C)=O)C)C
Compound: Koranimine
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H](C=N[C@H]1[C@H](O)C)C(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)CC3=CC=CC=C3)CC(C)C)CC(C)C
Compound: 1-hydroxy-5-methoxy-3-hydroxyethyl-6-methoxycarbonylxanthone
SMILES: O=C1C2=C(OC3=C1C=CC(=C3O)C(=O)OC)C=C(CCO)C=C2OC
Compound: 25-deoxyecdysone
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=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)CCC(C)C
Compound: Micropeptin D
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5=CC=C(O)C=C5)C
Compound: Phaeochromycin E
SMILES: O=C1C2=C(OC(=C1)CCC)C=CC=C2CC(=O)O
Compound: Cytosporone M
SMILES: O=C(OC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCC[C@@H](O)C
Compound: Halolitoralin B
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)C(C)C)CC(C)C
Compound: Tenacibactin C
SMILES: O=C(O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CC(C)C
Compound: 4-chloro-7,4'-dihydroxy-5,2'-dimethoxy-2-methylformate-6'-methybenzophone
SMILES: ClC1=C(OC2=C(OC)C=C(O)C=C2C)C(=C(O)C=C1OC)C(=O)OC
Compound: Pestalol C
SMILES: O=CC1=C(O)C=CC(=C1C=CCCCCC)C[C@H](O)C(O)(C)C
Compound: Betulinan A
SMILES: O=C1C(OC)=C(C(=O)C(=C1C2=CC=CC=C2)OC)C3=CC=CC=C3
Compound: Xinshengin
SMILES: O=C1O[C@@]2(C(=C[C@@H]3O[C@](C[C@@]3(C2)O)(OC)C(=O)OC)C=4C1=C(O)C=C(OC)C4)C
Compound: Paecilomycine B
SMILES: O1[C@@]2(O)[C@@H](O)[C@@]3(O)CO[C@@H]4[C@](C1)(CCC(=C4)C)[C@]3(C2)C
Compound: IB-00208
SMILES: O=C1OC(CC=2C1=C(O)C3=C4C(=O)C5=C(OC=6C(OC)=CC=C(C6C5=O)OC)C(C4=CC=C3C2OC7OC(C(C)C(C7C)OC)C)=O)C
Compound: 5-Bromoochrephilone
SMILES: BrC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@H]3[C@H](C(=O)C)C(O[C@]3(C1=O)C)=O
Compound: Abybetaomicin I
SMILES: O=C1C=2C(=O)O[C@@]34C2O[C@]([C@H](O)[C@H]3C=C[C@H]([C@@H](CC1)C)O)([C@H](C)C4)C
Compound: Sporidesmolide V
SMILES: O=C1OC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)OC(C(N[C@H](C(N([C@H]1CC(C)C)C)=O)C(C)C)=O)CC(C)C)CC(C)C)[C@H](CC)C)C(C)C
Compound: Geopyxin B
SMILES: O=C1C(=C)[C@@H]2CC[C@@H]3[C@@]1([C@@H](O)C[C@@H]4[C@](C(=O)O)(CCC[C@@]34C)C)C2
Compound: Alcalinaphenol B
SMILES: ClC1=C(OC)C(O)=C(O)C(=C1C)OC
Compound: (2'S)-2-(propan-2'-ol)-5-hydroxy-benzopyran-4-one
SMILES: O=C1C2=C(OC(=C1)C[C@H](O)C)C=CC=C2O
Compound: Chondrosterin A
SMILES: O=C1C(=C)[C@]2([C@H]3[C@](O)(CC(C3)(C)C)CC2=C1)C
Compound: Laccarin A
SMILES: O=C1N[C@@H]2[C@H](CCN(C2=C1C(=O)C)C(=O)CCCN)C
Compound: Roseoferin G
SMILES: O=C(NC(C(=O)NC(CN(CCO)C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)C(C)C)C(CC)C)C(CC)C)(C)C
Compound: Cycloaspeptide F
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@@H](CC(C)C)C(N([C@H](C(NC2=C1C=CC=C2)=O)CC3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C=C3)C)=O)CC5=CC=CC=C5)C)C
Compound: CJ-13,568
SMILES: O=C1C2=C(N(C)C(=C1)/C=C/[C@@](O)(CCC=C(C)C)C)C=CC=C2
Compound: Hongoquercin B
SMILES: O=C(O)C1=C(O)C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CC[C@@H](C4(C)C)OC(=O)C)C)C)C=C1C
Compound: Roseobacticide E
SMILES: S(SC)C=1C=C2OC(=O)C(=C2C=CC1)C3=CC=CC=C3
Compound: Salternamide B
SMILES: O=C1C(NC(=O)/C=C/[C@H](C[C@H](C=C(C)C)C)C)=C[C@](O)(CCCCC(=O)O)C=C1
Compound: 3-[[5-(2-methylpropyl)-1,2,4-trithiolan-3-yl]methyl]-1H-indole
SMILES: S1SC(CC(C)C)SC1CC=2C3=C(C=CC=C3)NC2
Compound: Brevione G
SMILES: O=C1C=C([C@@H]2CC[C@@]3([C@@H]([C@]2(C=C1)C)[C@H](O)C=C([C@]34OC=5C(=C(C)OC(C5C4)=O)C)C)C)C
Compound: Emycine F
SMILES: O1[C@@]23O[C@@H](C=4C2=C(C=CC4O)C[C@@H](C3)C)C=5C(C1)=C(O)C=CC5
Compound: Angucyclinone C
SMILES: O=C1C2=C3C(=O)C[C@@](O)(C)CC3=CC=C2OCC4=C1C=CC=C4OC
Compound: Chaiyaphumine A
SMILES: O=C1O[C@@H]([C@H](NC(=O)CC2=CC=CC=C2)C(=O)N[C@@H](C(=O)N[C@@H](C(N3[C@H](C(N[C@H]1CC=4C5=C(C=CC=C5)NC4)=O)CCC3)=O)C)CC6=CC=CC=C6)C
Compound: (+)-23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid
SMILES: O=C(O)C(C(C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@]([C@@H](C(=C)C)CC3)(CCC(=O)O)C)=CC2)(C)CC1)C)C)=C)C
Compound: Streptophenazine B
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)C(C(=O)OC)C(O)CCCCCC)N=C2C=CC1
Compound: Cladospolide A
SMILES: O=C1O[C@@H](CCCCC[C@@H]([C@@H](C=C1)O)O)C
Compound: Cyclo(Pro-Phe-Pro-Phe)
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(N[C@H]1CC4=CC=CC=C4)=O)CCC3)CC5=CC=CC=C5)CCC2
Compound: Fellutanine D
SMILES: O=C1N2[C@]3(NC=4C=CC=CC4[C@@]3(O)C[C@@H]2C(=O)N5[C@H]1C[C@@]6(O)C=7C=CC=CC7N[C@@]56C(C=C)(C)C)C(C=C)(C)C
Compound: Lydiamycin B
SMILES: O=C1N2NC[C@H](O)C[C@@H]2C(=O)OC[C@H](NC(=O)C3N(N=CCC3)C(=O)CC(C(=O)O)CCCCC)C(N[C@@H](C(N[C@H]1C)=O)CC(C)C)=O
Compound: JBIR-07
SMILES: O=C(N)C(C(O)CC/C(=C/C(=C/C)/CO)/C)C
Compound: Leptosin K2
SMILES: S1SS[C@@]23N([C@H]4NC=5C=CC=CC5C4([C@@H]2O)[C@]67C8=C(C=CC=C8)N[C@H]6N9C(=O)[C@]%10(C(C)C)SS[C@]9([C@H]7O)C(=O)N%10C)C(C(S1)(N(C)C3=O)C(C)C)=O
Compound: Streptomyceamide C
SMILES: O=C(N[C@H](C(=O)OCC)[C@H](O)C)C1=C(O)C(NC=O)=CC=C1
Compound: Dichotocejpin C
SMILES: O=C1N([C@H](C(=O)N2[C@@]1(O)CC=3C=CC=CC23)CO)C
Compound: 14'-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=CCC[C@]6([C@@H](C(=C1)CCO6)O)C(=O)CO)C
Compound: Duocarmycin C2
SMILES: ClCC1C2=C3C(NC(C3=O)(C(=O)OC)C)=C(O)C=C2N(C1)C(=O)C=4NC=5C(OC)=C(OC)C(=CC5C4)OC
Compound: Penicisochroman K
SMILES: O=C1C2=C(C(O)=CC=C2)CO[C@]1(O)C
Compound: Phomazine A
SMILES: S([C@@]12N(C(=O)/C(=C/C3=CC=CC=C3)/NC1=O)[C@@H]4[C@@H](O)C=CC=C4C2)C
Compound: Marilactone
SMILES: O=C1OC(=CC(=C1C)O)CC
Compound: 3,8-dihydroxy-4-(4-hydroxyphenyl)-6-methylcoumarin
SMILES: O=C1OC2=C(O)C=C(C)C=C2C(=C1O)C3=CC=C(O)C=C3
Compound: Violaceoid E
SMILES: O=C1C(=C(C=CCCCCC)[C@@H](O)[C@H](C1)O)CO
Compound: 2'-hydroxy-3'-methoxygenistein
SMILES: O=C1C2=C(OC=C1C3=C(O)C(OC)=C(O)C=C3)C=C(O)C=C2O
Compound: Paecilodepsipeptide B
SMILES: O=C(O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)C)CC2=CC=C(O)C=C2)C)CC3=CC=C(OCC=C(C)C)C=C3
Compound: Ripostatin A
SMILES: O=C1O[C@H]2C[C@](O[C@@H](C2)CC(=CCC=CCC(=C1)CC(=O)O)C)(O)CC/C(=C/CC3=CC=CC=C3)/C
Compound: Rs-DPLA
SMILES: P(=O)(OC1OC(C(O)C(C1NC(=O)CC(=O)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCC)COC2OC(C(OP(=O)(O)O)C(C2NC(=O)C[C@H](OC(=O)CCCCC/C=C/CCCCCC)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCC)CO)(O)O
Compound: 3,5-dichloro-2'-O-methylnorstenosporic acid
SMILES: ClC1=C(O)C(Cl)=C(CCC)C(=C1O)C(=O)OC2=CC(OC)=C(C(=O)O)C(=C2)CCCCC
Compound: Ruthmycin
SMILES: O=C1C2=C(O)C=CC=C2[C@@]3(O)CC(C[C@]14C3=C[C@@H](CC(=O)O)O[C@@H]4CCC)=O
Compound: Tianchimycin B
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)C(C[C@@H]([C@@H]([C@H](C=C1)C)OC2O[C@@H](C[C@]([C@H]2O)(O)C(O)C)C)C)C)C)C
Compound: Talopeptin
SMILES: P(=O)(O[C@H]1O[C@H]([C@@H](O)[C@H]([C@H]1O)O)C)(O)N[C@H](C(=O)N[C@H](C(=O)O)CC=2C3=C(C=CC=C3)NC2)CC(C)C
Compound: Cladosin G
SMILES: O=C1NC(=C(C)C)C(=C1C(=N)C[C@H](OC)C[C@@H](O)C)O
Compound: (-)-(3S)-3-hydroxy-3-methyloxindole
SMILES: O=C1NC=2C=CC=CC2[C@@]1(O)C
Compound: Fumiquinazoline L
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@](O)(NC([C@H]2C[C@@]4(O)C5=C(C=CC=C5)N6[C@@H]4NC7(CC7)C6=O)=O)C
Compound: Emestrin
SMILES: S1S[C@@]23N4[C@@H]5[C@@H](OC(=O)C=6C=CC(=C(OC=7C=C([C@@H]([C@]1(N(C)C2=O)C4=O)O)C=CC7O)C6)OC)C=COC=C5[C@H]3O
Compound: (6R,16S,18R,21R)-18,21-Dihydroxy-16,18-D
SMILES: O=C1[C@](O)(C=C[C@@H](O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@H](C([C@@H]3C=CC[C@@H]1C)=O)C)CC4=CC=CC=C4)C
Compound: Palmarumycin C4
SMILES: ClC=1C(=O)[C@@]23O[C@@]2(C(=O)C=CC3=O)C4(C1)OC=5C=6C(C=CC5)=CC=CC6O4
Compound: WS-9761-A
SMILES: O=C1C2=C(O)C(=CC=C2[C@@](O)(C)C3=C1C(=CC(=C3)O)C)C
Compound: Diglycosyi phenol phthiocerol dimycocerosate
SMILES: O=C(OC(CC(OC(=O)C(CC(CC(CC(CCCCCCCCCCCCCCCCCCCCCC)C)C)C)C)CCCCCCCCCCCCCCCCC1=CC=C(OC2OC(C(O)C(C2OC3OC(C(O)C(C3OC)OC)C)OC)C)C=C1)CCCCC(C(OC)CC)C)C(CC(CC(CC(CCCCCCCCCCCCCCCCCCCCCC)C)C)C)C
Compound: Microsphaerophthalide C
SMILES: O=C1O[C@H](OCC)C=2C1=C(O)C(=C(OC)C2C=O)C
Compound: Vasinfectin B
SMILES: O=C1C2=C(C(=CC(=C2)C(=O)CC)C)OC1(/C=C(/[C@@H](O)[C@H](CC)C)\C)C
Compound: (+)-applanatumol N
SMILES: O=C(O)[C@@]1([C@H](O)C(=CCC1)CO)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Tenuecyclamide B
SMILES: S1C2=NC(=C1)C(=O)NC(C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(NC2C)=O)=C(O4)C)C)C
Compound: Hygrophorone C12
SMILES: O=C1C=C[C@H]([C@]1(O)C(=O)CCCCCCCCCCCC)O
Compound: Hebetaeltin G
SMILES: O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CCC(C4(C)C)O)C)C
Compound: Naphthomycinol
SMILES: O=C1NC=2C(=O)C3=C(C(C(=O)C(=CC(C(O)C(C=CC(CC=C(C(CC(C(C=CC=CC=C1C)C)O)O)C)O)C)C)C)=C(O)C(=C3)C)C(C2)=O
Compound: (6Z,9S)-3,4-trans-9-hydroxy-3-methyldodec-6-en-4-olide
SMILES: O=C1OC(C/C=C\C[C@@H](O)CCC)C(C1)C
Compound: 10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one
SMILES: O=C1NCCCC(C(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)N)C)CCC(CCCC1CC)CC)CC
Compound: Cercosporene F
SMILES: O=C1C(=C2C=C3C(=O)C(O)=C([C@@]3(C)CC[C@]2(C)C[C@H]1O)C(C)C)CCC=4C(=O)[C@@H](O)C[C@@]5(C4CC6=C(O)C(=O)[C@@H]([C@@]6(C)CC5)C(C)C)C
Compound: VM44867
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=C([C@]4([C@H]1C=C([C@@H](OC)C4O)C)O)C)C)C
Compound: Zaragozic acid F-10863A
SMILES: O=C(O)[C@@]1(O)C2(OC(CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCC/C=C/C4=CC=CC=C4)O)C(=O)O
Compound: Rumbrin
SMILES: ClC1=C(NC=C1)/C=C/C=C/C=C/C=C(\C=2OC(=O)C(C)=C(C2)OC)/C
Compound: Calothrixin A
SMILES: O=C1C2=C(C(=O)C3=C1NC=4C=CC=CC34)C=[N+]([O-])C=5C2=CC=CC5
Compound: Photinide A
SMILES: O=C/1C2=C(OC)C=CC=C2O\C1=C(/[C@@H]3OC(=O)C[C@H]3C)\CO
Compound: Microsphaeropsisin A
SMILES: O=C1C=CC2=CC3(OCC(C3(CC2(C1C)C)O)=C)OC
Compound: (17beta,20R,22E,24R)-1-methyl-19-norergosta-1,3,5,7,9,14,22-heptaene
SMILES: C1=2C(C=CC3=C1CC[C@]4(C3=CC[C@@H]4[C@@H](/C=C/[C@H](C(C)C)C)C)C)=CC=CC2C
Compound: (7S,11S,12S,14R)-1',4'-dimethoxyamentol
SMILES: O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)O)C)C)C/C(=C/CC4=C(OC)C(=CC(=C4)OC)C)/C
Compound: Guignardone B
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(O)(C)C)C)[C@@H]4C[C@@]1(O)CO4
Compound: Vicibactin
SMILES: O=C1O[C@@H](CC(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)O[C@@H](CC(=O)N(O)CCC[C@H](C(O[C@@H](CC(N(CCC[C@H]1NC(=O)C)O)=O)C)=O)NC(=O)C)C)C
Compound: 8-epi-Malyngamide C
SMILES: Cl/C=C(\[C@]12O[C@H]1[C@H](O)CCC2=O)/CNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC
Compound: 5aTHQ-10n
SMILES: N1C2=C(C(=CC=C2)CCCCCCCCCC)CCC1
Compound: (3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
SMILES: O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H]1C)CC3)C)C)CC2)CC
Compound: 7-desmethyldeoxyneofusapyrone
SMILES: O=C1OC(=CC(=C1[C@@H]2O[C@@H](C[C@@H]([C@H]2O)O)CO)O)C(C(O)/C=C/C(=C/C(/C=C(\CC(CCCCCC)C)/C)C)/C)C
Compound: 3-hydroxy-2-(hydroxymethyl)-4-(13-methyltetradecanoyl)-2H-furan-5-one
SMILES: O=C1O[C@@H](CO)C(=C1C(=O)CCCCCCCCCCCC(C)C)O
Compound: Brevione J
SMILES: O=C1OC(=C(C)C2=C1C[C@@]3(C(=C[C@H](O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(C5(C)C)=O)C)C)C)O2)C
Compound: 3-hydroxy-N-methylwelwitindolinone C isonitrile
SMILES: ClC1=C[C@H]2C(=O)[C@]([C@@]1(C=C)C)([N+]#[C-])C3=C4C(=CC=C3)N(C([C@@]4(C2(C)C)O)=O)C
Compound: (2S)-4-(2-chloroethyl)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-3-methyl-1,2-dihydropyrrol-5-one
SMILES: ClCCC=1C(=O)N[C@@H](C1C)[C@@H](O)[C@@H]2C=CCCC2
Compound: Micropeptin T2
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC=3C4=C(C=CC=C4)NC3)C)=O)CC5=CC=CC=C5)C2=O)O)CCCCN)C
Compound: Tetromycin 4
SMILES: O=C1OC23C(C=C(CCC=C(C4C(C(=C1C2=O)O)(C5C=C(CC(C5CC4C)OC6OC(C(OC(=O)C7=C(OC)C=C(O)C=C7C)C(C6O)O)C)C)C)C)C)(C=C(C(=O)O)C(C3)C)C
Compound: (-)-Dihydropertusaric acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC(=O)C)[C@H]([C@@H]1C)C(=O)O
Compound: Halymecin G
SMILES: O=C(O[C@@H](C[C@@H](O)CC(=O)O[C@@H](C[C@@H](O)CC(=O)O)CCCCC)CCCCC)C[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)C[C@H](OC(=O)C)CCCCC
Compound: Peptide P1
SMILES: SCC(NC(=O)CCCC(N)C(=O)O)C(=O)NC(C(=O)NCC(=O)O)C(O)(C)C
Compound: Phomopsilactone
SMILES: O=C1OC(=C)[C@H](C)C=2C1=C(O)C(=C(O)C2C=O)C
Compound: Emericolin D
SMILES: O=C(O)C1=CC[C@@H]2[C@@](CC[C@]3([C@H]2[C@@H](C(=C)C)CC3)C)(C)C[C@@H]4[C@H]1C=C[C@@H]4C
Compound: Fomlactone A
SMILES: O=C1O[C@]2(O[C@H]3[C@]4([C@](C=5CC[C@@H]6[C@@](C5C3)(CC[C@H](C6(C)C)OC(=O)C)C)(CC[C@@H]4[C@@H](C2)C)C)C)[C@H]([C@@H]1C)C
Compound: Palmarumycin P4
SMILES: O=C1C2=CC=C[C@H]([C@H]2C3(OC=4C=5C(C=CC4)=CC=CC5O3)[C@@H](C1)O)O
Compound: Stearyl-glutinopallal
SMILES: O=C(OC)[C@@]12C3([C@@]4(OC4[C@@H]5[C@H]1CC5=C(C)C)COC3OC(=O)CCCCCCCCCCCCCCCCC)C2
Compound: Antrodin A
SMILES: O=C1C=C(C)[C@@]2([C@]1([C@@H](O)[C@H]3CC(C[C@@H]23)(C)C)C)O
Compound: (+)-discoipyrrole A
SMILES: O=C1O[C@@]2(N(C(C3=CC=C(O)C=C3)=C(C2=O)C4=CC=C(O)C=C4)C5=C1C=CC=C5)CC(C)C
Compound: IC101
SMILES: O=C1OC(C(NC(=O)C(O)(C2(OC(C(CCC(C)C)CC2)CC)O)C)C(=O)N3NCCCC3C(=O)N(O)C(C)C(NCC(N4C(C(N(C1C)O)=O)CCCN4)=O)=O)C(C)C
Compound: Virgatolide C
SMILES: O=C1O[C@@H]([C@@H](O)C)C=2C1=C(O)C3=C(O[C@@]4(O[C@H](C[C@H](C4)O)C)[C@H](C3)C)C2
Compound: Coumabiocin E
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=CC(=C(O)C=C4)CC(O)C(=C)C)O
Compound: BZR-cotoxin I
SMILES: O=C1OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(N(C(C(N(C(C(N(C(C(NC1CO)=O)CC(C)C)C)=O)C(C)C)C)=O)C(CC)C)C)=O)CC(C)C)C(O)C)C)C(C)C)C)C)C(C)C
Compound: Arylomycin B7
SMILES: O=[N+]([O-])C1=C(O)C=2C3=C(O)C=CC(=C3)C(N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCCCCC(CC)C)C)CO)C)C)C(=O)N[C@H](C(NC(CC(=C1)C2)C(=O)O)=O)C
Compound: Galvaquinone C
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C(O)=C(C)C(=C2C(=O)CC(C)C)O
Compound: Anthcolorin E
SMILES: O=C1N(C=2C=CC=CC2[C@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@@]([C@@H](O)CC4)(CC[C@H](O)C(O)(C)C)C)CC3)C)C(C=C)(C)C
Compound: Dictyopanine B
SMILES: O=C1C=C2[C@@H](OC(=O)/C=C/C(=C/C(CC)C)/C)CC[C@H]([C@@]2([C@H]1CC(C=O)=C)C)C(=O)O
Compound: Lanosta-8-en-7,11-dioxo-3beta-acetyloxy-24,25,26-trihydroxy
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)OC(=O)C)C)[C@@]4(CC[C@@H]([C@]4(C1)C)[C@@H](CCC(O)C(O)(CO)C)C)C
Compound: Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin
SMILES: S([C@@]12N(C(=O)C(=C)N(C1=O)C)[C@@H]3[C@@H](O)C=CC=C3C2)C
Compound: 8-acetoxy T-2 tetraol
SMILES: O=C(O[C@@H]1C(=C[C@H]2O[C@H]3[C@@]4([C@@]([C@]2(C1)CO)([C@H](O)[C@H]3O)C)OC4)C)C
Compound: Sch49210
SMILES: O=C1[C@]23O[C@@]2(C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@H]7[C@@H]1O7)[C@H](O)CC[C@@H]3O
Compound: Frustulosin
SMILES: O=CC1=C(C#CC(=C)C)C(O)=CC=C1O
Compound: Nodulisporiviridin B
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@@](O)(C)C4=C1OC=C4CCCO
Compound: Inonotin C
SMILES: O=C1[C@@](O)([C@H]2[C@H]([C@@H](C)CC2)[C@@H]3[C@H](C1)[C@@]3(CO)C)C
Compound: Oxyjavanicin
SMILES: O=C1C2=C(O)C3=C(CO[C@@](C3)(O)C)C(=C2C(=O)C=C1OC)O
Compound: Cordyol E
SMILES: O(C1=CC(OC)=CC(=C1)C)C2=CC(O)=CC(=C2)C
Compound: Cyclopiamide B
SMILES: O=C1N(C(C)(C)C=2C1=C3C(=O)N(C)C4=C3C(=CC=C4)C2)[C@H](CC(=O)O)C
Compound: Scabronine G
SMILES: O=C1[C@]2([C@@H](C3=C(C(C)C)CC[C@]3(C(=O)O)CC2)CC=C(C1)C=O)C
Compound: 9alpha-hydroxydihydrodesoxybostrycin
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)O
Compound: N-demethylstreptomycin
SMILES: O=CC1(O)C(OC2OC(C(O)C(C2N)O)CO)C(OC3C(O)C(O)C(N=C(N)N)C(C3N=C(N)N)O)OC1C
Compound: Penostatin J
SMILES: O=C1C=C2C=CC[C@H]2[C@H]3[C@]1(O[C@H](C(C)=C3)C=CCCCCCCC)O
Compound: 2-bromorugulovasine A
SMILES: BrC=1NC=2C=CC=C3C2C1C[C@@H](NC)[C@@]34OC(=O)C(=C4)C
Compound: Aromadendrane-4alpha, 8alpha, 10alpha-triol
SMILES: O=C(O[C@@H]1[C@H]2C(C)(C)C2C3[C@](O)(CCC3[C@@](C1)(O)C)C)C
Compound: gamma-ergokryptinine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CCCC)=O)(NC(=O)C4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C(C)C)O)CCC2
Compound: 5alpha-hydroxy-3,4-seco-lanosta-4(28),8,24-triene-3,21-dioic acid 3-methyl ester
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)OC)C)CC2)(C)[C@H](C1)O)C)CCC=C(C)C
Compound: Halstoctacosanolide C
SMILES: O=C1OC(C(C/C(=C/CC(O)CC(O)C(C(O)CC)C)/C)C)CC(O)C(C=CC=CCC(C(=O)CC2OC(CC=C(C=C(C(CC=C1C)O)C)C)(O)C(CC2)C)C)C
Compound: Haemoventosin
SMILES: O=C1C2=C(C(O)=C3C[C@@H](OC3=C2O)C)C(=O)C=C1C(=O)OC
Compound: 6-epi-Albrabetaitriol
SMILES: O[C@@]1(C(=C[C@@H](O)[C@@H]2[C@@]1(CCCC2(C)C)C)C)CO
Compound: Paecilodepsipeptide A
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(N[C@@H](C(N[C@@H]1CC2=CC=C(OCC=C(C)C)C=C2)=O)C)=O)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4
Compound: Dermochrysone 8-O-beta-D-gentiobioside
SMILES: O=C1C2=C(O)C3=C(OC4OC(C(O)C(C4O)O)COC5OC(C(O)C(C5O)O)CO)C=C(OC)C=C3C=C2C[C@](C1)(O)CC(=O)C
Compound: 2S-hydroxy-3-oxo-carophyllan-[5,8]-6,7-olide
SMILES: O=C1[C@@H](O)[C@@H]2C(C[C@@H]2[C@]3([C@H]([C@H]1C)COC3=O)C)(C)C
Compound: Radinaphthalenone
SMILES: O=C1C2=C(C(=O)CC1)C(=C(O)C=C2O)C
Compound: 2-trans-allyl-3-chloro-l-hydroxy-4-oxo methyl ester
SMILES: Cl[C@H]1C(=O)C=C([C@@]1(O)C(=O)OC)/C=C/C
Compound: 2-hydroxyphenazine-1-carboxylic acid
SMILES: O=C(O)C=1C2=NC=3C(=CC=CC3)N=C2C=CC1O
Compound: Microginin 91-A
SMILES: ClCCCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC(C)C)C)[C@H](CC)C
Compound: Hypsiziprenol-AA14
SMILES: OC(C=C)(CC/C=C(/CCC(O)C(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C)C)\C)C
Compound: Strevertene B
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]1CC)O)O)O)O)O)C(=O)O)C)C
Compound: Hawaiinolide G
SMILES: O=C1[C@@]2(O)[C@@](C(=O)O)([C@H](O)CC[C@@]2([C@H]3CCC([C@H]([C@@H]3C1)C=C)=C)C)C
Compound: Amidepsine C
SMILES: O=C(OC1=CC(O)=C(C(=O)N[C@H](C(=O)O)C(C)C)C(=C1)C)C2=C(O)C=C(OC(=O)C3=C(O)C=C(OC)C=C3C)C=C2C
Compound: (-)-discoipyrrole A
SMILES: O=C1O[C@]2(N(C(C3=CC=C(O)C=C3)=C(C2=O)C4=CC=C(O)C=C4)C5=C1C=CC=C5)CC(C)C
Compound: Oreganic acid
SMILES: S(=O)(=O)(OCCCCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)O)/CC(=O)O)O
Compound: Mitibetaimol C
SMILES: O=C1C(=C[C@@H](O)CC(C)=C[C@H](C(C=C1)(C)C)O)C
Compound: Erabulenol A
SMILES: O=C1C(OC)=C(O)C=2C(O)=C3C(C)(C)[C@@H](OC3=C4C2C1=C(O)C=C4C)C
Compound: JBIR-95
SMILES: S(=O)(=O)(O)C[C@@H](NC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)C)[C@@H](O)C(C)C)C
Compound: Neoansamycin A
SMILES: O=C1NC=2C(=O)C3=C(C(C(=O)[C@H](CC)CCC[C@@H](C(C(=C[C@@H]1CCCCC)C)=O)OC)=C(O)C=C3)C(C2)=O
Compound: Ganbajunin D
SMILES: O=C(OC1=C(C2=CC=C(O)C=C2)C(OC(=O)CC3=CC=CC=C3)C(O)=C(C1O)C4=CC=C(O)C=C4)CC5=CC=CC=C5
Compound: Grabetaystatin B
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@@H](N(C)C)C(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)[C@H](O)C)CC)C)CC2=CC=CC=C2)CCC1
Compound: Petromurin B
SMILES: O(C1=C(OC)C(=C(OC)C(=C1C=2C3=C(C=C(CC=C(C)C)C=C3)NC2)OC)C=4C5=C(C=CC=C5)NC4)C
Compound: Balticol C
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@](C1)(O)CO
Compound: Dihydroaltersolanol B
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@@H]3[C@@H]1C[C@@H](O)[C@](C3)(O)C
Compound: Anthracimycin
SMILES: O=C1O[C@@H](C=CC=C[C@@H](C)[C@@H]2[C@H](C(=CC([C@H]1C)=O)O)[C@@H]3[C@H](CC(C)=CC3)C=C2)C
Compound: Xiamycin methyl ester
SMILES: O=C(OC)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)NC4=C3)C)C
Compound: Conidiogenone H
SMILES: O=C1[C@]2([C@@]3([C@@H](C)[C@@H](C1)O)[C@H]([C@@H]4C(C[C@H]([C@@]4(C3)C)O)(C)C)CC2)C
Compound: Brevianamide T
SMILES: O=C/1N2C(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)=CC=C2
Compound: Terretonin D
SMILES: O=C1[C@@](OC(=O)[C@@H]2C1(C(=C)C[C@@H]3[C@@]4(C(C(C(=O)CC4)(C)C)C([C@@H]([C@@]23C)O)=O)C)C)(C(=O)OC)C
Compound: Cubensic acid
SMILES: O=C(O)C(C(O)/C(=C/C(C(O)/C=C/C(C(O)/C=C/C(C(O)/C(=C/C(CO)CC(CC)C)/C)C)C)C)/C)C
Compound: Marilone B
SMILES: O=C1O[C@@H](C)C=2C1=C(OC)C(=C(O)C2)C
Compound: Aleurodisconitrile
SMILES: O=C(O)[C@@H](N)CCO[C@H](C#N)C1=CC(OC)=C(O)C(=C1)O
Compound: Hydroxyplatensic acid methyl ester
SMILES: O=C1C=C[C@]23[C@@H](O)[C@]4(C)O[C@H]([C@H]2[C@@]1(CCC(=O)OC)C)CC4C3
Compound: Micropeptin SD1002
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CC(=O)O)C(=O)NC(C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC=3C4=C(C=CC=C4)NC3)C)=O)[C@H](CC)C)C2=O)O)CC5=CC=C(O)C=C5)C
Compound: Lymphostinol
SMILES: O=C(C=1NC=2C(NC(=O)C)=CC(=N)C=3C2C(C1)=CN3)CCO
Compound: Heliconol A
SMILES: O1[C@@]2(O)[C@](O)([C@@H](O)CC2)[C@@H]([C@H]1CCCCCCCCC)O
Compound: 5aTHQ-8n
SMILES: N1C2=C(C(=CC=C2)CCCCCCCC)CCC1
Compound: Methylinoscavin C
SMILES: O=C1OC(=CC2=C1C(=C(C3=CC(O)=C(O)C=C3)O2)C(=O)C)/C=C/C4=CC(OC)=C(O)C=C4
Compound: Bacillcoumacin G
SMILES: O=C1O[C@H]([C@@H](NC(=O)/C=C/2\NC(=O)CC2)CC(C)C)CC=3C1=C(O)C=CC3
Compound: VM48640
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=C([C@]4([C@H]1C=C([C@@H](OC)C4)C)O)CO)C)C
Compound: Negamycin
SMILES: O=C(O)CN(NC(=O)C[C@H](N)C[C@@H](O)CN)C
Compound: Notoamide O
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](O[C@@]5(NC=6C7=C(OC(C)(C)C=C7)C=CC6C5=O)C([C@@H]4C3)(C)C)O)CCC2
Compound: Estatin A
SMILES: O=C(O)C1OC1C(=O)N[C@H](C(=O)NCCCCN=C(N)N)CC2=CC=CC=C2
Compound: Maltepolide E
SMILES: O=C1O[C@H](/C=C/[C@H]2O[C@@H]2C)[C@@H]([C@H](O)C[C@H](OC)C=C[C@]3(O[C@@H]3CC=CC=C(C([C@H](C=C1C)C)=O)C)C)C
Compound: Cladosporol E
SMILES: O=C1C2=C(C(O)=CC=C2[C@@H]3C4=C(C(O)=CC=C4)C(=O)CC3)[C@@H](O)[C@H]([C@@H]1O)O
Compound: Nocarbenzoxazole F
SMILES: O1C(=NC2=C1C=CC(=C2)CO)C3=CC=C(O)C=C3
Compound: TAN-1120
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3OC4OC(C5OC(OC(C(NC5C4)O)C)CC(O)C)C)C(=C2C(=O)C6=C1C(C(=O)C)=CC=C6)O
Compound: Ganomycin I
SMILES: O=C1O[C@H](C2=C(O)C=CC(=C2)O)C=C1CCC=C(CCC=C(C)C)C
Compound: 2-n-octyl-4-hydroxyquinoline N-oxide
SMILES: OC=1C=2C([N+]([O-])=C(C1)CCCCCCCC)=CC=CC2
Compound: Aldgamycin I
SMILES: O=C1O[C@@H]([C@H]([C@@H]2O[C@@H]2C=CC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]([C@H]3O)(O)[C@@H](O)C)C)C)(O)C)COC4OC(C(O)C(C4OC)OC)C)C
Compound: Sphaerolabdadiene-3,14-diol
SMILES: BrC1C(C(C(C)=CC1)CCC(O)(C=C)C)(CCC(O)C(=C)C)C
Compound: Grisorixin
SMILES: O=C(O)[C@@H]([C@@H]1O[C@H](CC[C@@H]1C)C[C@H]2O[C@]3(O[C@@]([C@@H]4O[C@@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@H](C)C[C@@H]6C)C)C[C@@H]5C)(C)CC4)(C)C[C@H]3C)[C@H](C)[C@@H](C2)OC)C
Compound: 2,4-Dihydroxy-6-(2-oxopropanoyl)benzoic acid
SMILES: O=C(O)C1=C(O)C=C(O)C=C1C(=O)C(=O)C
Compound: Aurachin RE
SMILES: O=C1C2=C(N(O)C(=C1C/C=C(/CC/C=C(/C[C@H](O)C=C(C)C)\C)\C)C)C=CC=C2
Compound: Venezueline D
SMILES: O=C(OC1=C(NC(=O)CO)C=C2NC=3C=C(CO)C=CC3OC2=C1)CO
Compound: Streptophenazine D
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)C(C(=O)OC)C(O)CCC(C)C)N=C2C=CC1
Compound: (2S)-2,3-Dihydro-7-hydroxy-6,8-dimethyl-2-[(E)-prop-1-enyl]-chroman-4-one
SMILES: O=C1C2=C(O[C@H](C1)/C=C/C)C(=C(O)C(=C2)C)C
Compound: (4bR,10bR)-4b-hydroxy-10b,12-dihydrodibenzo[c,h][2,6]naphthyridine-5,11(4bH,6H)-dione
SMILES: O=C1NC2=C(C=CC=C2)[C@@H]3[C@@]1(O)C4=C(NC3=O)C=CC=C4
Compound: 4-((Z)-but-2-enoyloxy)-8-chloro-12-hydroxy-7,13-epoxytrichothec-9-ene
SMILES: Cl[C@@H]1C(=C[C@H]2O[C@H]3[C@]4(CO[C@@H]1[C@@]2([C@]4([C@H](OC(=O)/C=C\C)C3)C)C)O)C
Compound: Tetracenomycin-F2
SMILES: O=C(O)C/C(/O)=C\C=1C(=C(O)C2=C(O)C3=C(O)C=C(C=C3C=C2C1)O)C(=O)C
Compound: Mutactimycin E
SMILES: O=C1C2=C(O)C3=C(C[C@](O)(C)[C@H](C3OC4OC(C(O)C(C4O)OC)C)O)C(=C2C(=O)C=5C1=C(OC)C(=CC5)C)O
Compound: Ralfuranone L
SMILES: O=C1OCC(=C1CC2=CC=CC=C2)C3=CC=CC=C3
Compound: Campyrone A
SMILES: O=C1OC(=CC(=C1)OC)[C@@H](NC(=O)C)[C@H](CC)C
Compound: VM-44865
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](C(=CC)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](OC)[C@H]5OC4)COC(=O)C(=CC)C)O)C)C
Compound: Berkedrimane B
SMILES: O=C1OC[C@]2(C1=CC[C@H]3C(CC[C@@H]([C@]23C)OC(=O)[C@@H](NC(=O)C)C(C)C)(C)C)O
Compound: Pallidorosetin B
SMILES: O=C1N(C(CO)C(C1=C(O)[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)CO)/C=C/CO)C)=O)C
Compound: Hopene
SMILES: OCCCC([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@@]4(C=C[C@H]5C(CCC[C@@]5([C@H]4CC3)C)(C)C)C)(C)CC2)(C)CC1)C
Compound: Fellutamide F
SMILES: O=C(N[C@H](C(=O)N[C@@H](C(O)O)CCC(C)C)CCC(=O)N)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)CC(=O)N
Compound: Langkolide
SMILES: O=C1O[C@@H]([C@@H]([C@@H]2O[C@H]2[C@H](O)C[C@@H](O)C[C@H](O)C[C@H](OC(=O)C)C[C@@H]3O[C@@]([C@H]([C@@H]([C@@H](CCC=C[C@H](C[C@@H]([C@H](C=C1)C)O)O)C)O)O)(O)[C@@H](O)[C@@H](C3)O)C)[C@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]([C@H](O[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H]([C@H](OC(=O)C(C(O)/C(=C/C6=CC=7C(=O)C=CC(C7C=C6)=O)/C)C)CC5)C)CC4)C)C)C)C)C
Compound: 1'-hydroxy-2'-ketoisorhodoptilometrin
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C([C@@H](O)C(=O)C)C3
Compound: (1S,2'R,3'S,10E,12E,14S,15S,16E,19R,21S)-2'-cyclohexyl-7,15-dihydroxy-3',6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,6'-2,3-dihydropyran]-3-one
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](C4CCCCC4)[C@@H](C)C=C3)O[C@@H](C2)CC=C([C@@H](O)[C@H](C=CC=CC5=C1C=C(C)C(=C5)O)C)C
Compound: Lapatin A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C4NC([C@@H]2C[C@@]45C6=C(C=CC=C6)N7[C@@H]5N[C@@H](C)C7=O)=O
Compound: Didehydromirabazole A
SMILES: S1C(=NC(=C1)C=2SC[C@@](N2)(C=3SC=C(N3)C)C)[C@]4(N=C(C(C)C)SC4)C
Compound: AT2433-B3
SMILES: O=C1N(C(=O)C2=C1C3=C(N([C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C5=C3C=CC=C5)C6=C2C7=C(C=CC=C7)N6)C
Compound: (-)-(4S,8S)-foedanolide
SMILES: O=C1C(=C(C)[C@]2([C@@H]1CCCC)OC(=O)CC2)C
Compound: Pestaloporonin A
SMILES: O=C1C(CC=C([C@@H]2[C@@H](C=C(C[C@@H]1O)CO2)OC)CO)(C)C
Compound: methyl 1-((2-methyl carbamate)ethyl)-beta-carboline-3-carboxylate
SMILES: O=C(OC)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)CCC(=O)NC
Compound: (3Z,6E)-1-N-methyl-3-benzylidene-6-(2R-methyl-3-hydroxypropylidene)piperazine-2,5-dione
SMILES: O=C/1N(/C(/C(=O)N\C1=C/C2=CC=CC=C2)=C/[C@H](CO)C)C
Compound: Spiromastixone K
SMILES: ClC1=C2OC3=C(C(=C(Cl)C(=C3)OC)CCC)OC(C2=C(CCC)C(=C1O)Cl)=O
Compound: Malbranicin
SMILES: O=C1C(OC)=CC(=O)C=C1[C@H](C(=O)C)C
Compound: Arborcandin B
SMILES: O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCCC)C(NC(C(NC(C(NC(C(NC(C(NC1C(O)C)=O)CC(O)C(=O)N)=O)C)=O)CC(=O)N)=O)CC(=O)N)=O)CCC(O)CCCCCCCCC)C(O)C
Compound: Antimycin A17
SMILES: O=C1OC(C(OC(=O)C(CC)C)C(CCCCC)C(OC(C1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Moenomycin G
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)(O)O
Compound: [L-Homoarginine2]nodularin
SMILES: O=C/1N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C(=O)N[C@@H](/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)[C@@H](C(N[C@H](CCC(N(\C1=C/C)C)=O)C(=O)O)=O)C)CCCCN=C(N)N)C
Compound: Bergofungin C
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(CO)CC3=CC=CC=C3)(C)C)CC(C2)O)(C)C)CCC(=O)N)CC(C1)O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)(C)C)(C)C)(C)C)C(C)C)CC(C)C)(C)C)(C)C
Compound: 11-O-methyldiplosporin
SMILES: O=C1C2=C(OC=C1COC)CC[C@H]([C@@H]2O)CC
Compound: SN-198-B
SMILES: O1C(OC2=C(OC)C(OC)=NC(=C2C)C/C=C(/C/C=C/C=C/C(C(O)/C(=C/C)/C)C)\C)C(O)C(O)C(C1C)O
Compound: 16-alpha-D-glucopyranosyloxyisopimar-7-en-19-oic acid
SMILES: O=C(O)[C@@]1([C@H]2[C@@]([C@@H]3C(C[C@](CCO[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C)CC3)=CC2)(CCC1)C)C
Compound: Brevioxime
SMILES: O=C1N2[C@@H](OC(=C1C)CCCC/C=C/C)/C(=N\O)/CC2
Compound: methyl 2-(6-bromo-3,4-dihydroxyphenyl)acetate
SMILES: BrC1=C(C=C(O)C(=C1)O)CC(=O)OC
Compound: Enniatin F
SMILES: O=C(N(C(C(=O)C(NC)C(C=C)C)(C=O)C(C(=O)C(O)C(C)C)(C(=O)C(NC)C(CC)C)C(C(=O)C(O)C(C)C)(C)C)C)C(O)C(C)C
Compound: 3alpha-hydroxytauranin
SMILES: O=C1C(O)=C(C(=O)C=C1CO)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H](C3(C)C)O)C
Compound: VM54168
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@@H](O)C4)C)O)C=O)C)C
Compound: Fomentarol D
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C[C@@H]3[C@@H](/C=C/[C@@H](C(O)(C)C)C)C)C)[C@@]5([C@@H]1C[C@@H](O)CC5)C
Compound: Karnamicin C5
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)[C@@H](O)CCCC
Compound: Bafilomycin J
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)C(C)C)O)C)C
Compound: 2,3-Dihydro-1-benzoxepin derivative 4a
SMILES: Cl/C=C/1\C=CC=2C=C(C(=O)O)C=CC2OC1
Compound: Penicitrinol J
SMILES: O=C(O)C1=C2OC3=C(C(O)=C(C)C4=C3O[C@H](C)[C@H]4C)[C@H]5C2=C([C@@H]([C@@H](C)O5)C)C(=C1O)C
Compound: JBIR-80
SMILES: O=C1C=2OC([C@H]3CCC(=C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C(C=C)(CO)C)C)(C)C
Compound: Gulmirecin A
SMILES: O=C1OC(C(=CC)C)CC=C(C(OC2OC(CO)C(C2O)O)C(C(CC(C1C)O)=O)OC(=O)CC(C)C)C
Compound: Isoelisabethatriene B
SMILES: C12=C(CCC(C1C=C(C)CC2)C(CCC=C(C)C)C)C
Compound: Kandenol D
SMILES: O=C1C=C([C@]2(OO)C[C@@H](C(O)(C)C)CC[C@]2(C1)C)C
Compound: Sterenin E
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)CC=C(C)C)C2=C(O)C=C(O)C=C2C
Compound: Tanzawaic acid B
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](C)C[C@H]2C
Compound: methyl ganoderate A acetonide
SMILES: O=C1C2=C3[C@@]4([C@@H](OC(O[C@H]3C[C@@H]5[C@@]2(CCC(C5(C)C)=O)C)(C)C)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)C[C@H](C(=O)OC)C)C)C
Compound: Oxisterigmatocystin B
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3OC)C4=C(O[C@@H]5[C@H]4C[C@@H](OC)O5)C=C2OC
Compound: (-)-hepta-4,6-diyne-2,3-diol
SMILES: OC(C#CC#C)C(O)C
Compound: Minioluteumide E
SMILES: O=C1OCC2=C1[C@H](OC(=O)[C@@H](NC(=O)C)C(C)C)C[C@@H]3[C@@]2([C@@H](O)CCC3(C)C)C
Compound: Rubetaulactarorufin
SMILES: O=C1OCC2=C1C[C@@](O)([C@@H]3C[C@@](C[C@@H]3[C@H]2O)(C(=O)O)C)C
Compound: Dankasterone B
SMILES: O=C1[C@@]23[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC1)(CC[C@@H]2[C@@]4([C@@H](CC(=O)CC4)C(C3)=O)C)C
Compound: Tiglicamide A
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)CCC3=CC=C(O)C=C3)CCC(=O)O
Compound: Myceliothermophin C
SMILES: O=C1N[C@@](OC)(CC(C)C)C=C1C(=O)[C@H]2[C@H](C(=C[C@@]3([C@@H]2CC[C@@H](C3)C)C)C)/C(=C/C)/C
Compound: KB425796-A
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(N[C@H]1CC(=O)O)=O)C(C)C)=O)=O)CC=3C4=C(C=CC=C4)NC3)=O)=O)CC=5C6=C(C=CC(=C6)O)NC5)=O)CCCNC(=O)N)CCC2)C(C)C)CC=7NC=NC7)CCCN)CCCCCCCCCC(C)C
Compound: Asterobactin C
SMILES: O=C(OCC(O)C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NO)CCCN(O)C(=N)N)C)CCCCCCCCCCC)CCCN(O)C=O)C1=C(O)C=CC=C1
Compound: Anteaglonialide B
SMILES: O=C1O[C@@H]([C@H]2C3(OC=4C=5C(C=CC4)=CC=CC5O3)CC[C@H](C2)O)CC1
Compound: Micropeptin T1
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC=3C4=C(C=CC=C4)NC3)C)=O)CC5=CC=CC=C5)C2=O)O)CC6=CC=C(O)C=C6)C
Compound: (3aR,6S,7R,7aS)-6,7-dihydroxy-6-methyl-3-methylenehexahydrobenzofuran-2(3H)-one
SMILES: O=C1O[C@@H]2[C@@H](O)[C@](O)(C)CC[C@@H]2C1=C
Compound: Phepropeptin A
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(C)C)CC(C)C)CC(C)C)CCC2
Compound: Chrysotriazole A
SMILES: O(C1=C(N2N=CN=C2CC3=CC=C(O)C=C3)C=CC(=C1)OC)C
Compound: Menaquinone MK-6(VI-H2)
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)\C)\C)\C)C)C=CC=C2
Compound: Nodulisporipyrone B
SMILES: O=C1OC(=CC(=C1)OC)[C@H](O)[C@H](O)CCCCC
Compound: LL-Z1640-6
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)C[C@@H](O)CC(=O)C
Compound: Thielavin F
SMILES: O=C(OC1=C(C(=C(C(=O)O)C(=C1)OC)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Pyloricidin A1
SMILES: O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@H](CC)C)CC(C)C)CO
Compound: PL2B
SMILES: P(=O)(OC[C@H](O)CO)(OCCNC(=O)OCC)O
Compound: Macrosphelide K
SMILES: O=C1O[C@H](CC(=O)O[C@H](C(=O)C[C@@H](C(O[C@H]([C@@H](C=C1)O)C)=O)OCC)C)C
Compound: Garamine
SMILES: O1C(OC2C(O)C(O)C(N)CC2N)C(O)C(NC)C(C1)(O)C
Compound: (R)-resistoflavin
SMILES: O=C1C2=C(O)C=C(O)C3=C2[C@@]4(O)C(=CC(C5=C4C1=C(O)C=C5C)=O)C(C3=O)(C)C
Compound: Benzastatin G
SMILES: O=C(N)C1=CC2=C(N[C@H](C2)C(O)(CCC=C(C)C)C)C=C1
Compound: 6′-methyl-[1,1′-biphenyl]-3,3′,4′,5-tetraol
SMILES: OC1=C(O)C=C(C)C(=C1)C2=CC(O)=CC(=C2)O
Compound: Monodictyquinone A
SMILES: O=C1C2=C(O)C(OC)=CC=C2C(=O)C=3C1=C(O)C=C(C)C3
Compound: (1R)-(3-acetophenyl)-1,2-ethanediol
SMILES: O=C(C1=CC(=CC=C1)[C@@H](O)CO)C
Compound: 6-((1′S,2′R)-2′-propyloxiran-1-yl)-2H-pyran-2-one
SMILES: O=C1OC(=CC=C1)[C@H]2O[C@@H]2CCC
Compound: SF2738D
SMILES: S(C1=C(N=C(C2=NC=CC=C2)C=C1OC)C#N)C
Compound: Citreo-g-pyrone
SMILES: O=C1C(=C(OC(=C1)C)C)/C(/OC)=C\C(=O)O
Compound: Alkyldihydropyrone B
SMILES: O=C1O[C@@H](CC(=C1C)O)CCCCC
Compound: Huaspenone D
SMILES: O=C1NC(=CC2=C1C(=O)[C@](/C=C/C=C/CC)(C)O2)C
Compound: Fornicatin C
SMILES: O=C(O)[C@H]1C2=C(C(CCC=C(C)C)C)CC[C@]2([C@@H]3CC[C@@H]4[C@@]([C@H]3C1)(CC[C@@H](C4(C)C)O)C)C
Compound: Dendryphiellin A
SMILES: O=C1C=C2C=C[C@H](OC(=O)/C=C/C=C/C(CCO)C)[C@@H]([C@@]2(C)C[C@H]1O)C
Compound: (5R)-5-hydroxy-2,3-dimethylcyclohex-2-en-1-one
SMILES: O=C1C(=C(C[C@H](C1)O)C)C
Compound: 5-chloro-4,6-dihydroxymellein
SMILES: ClC1=C(O)C=C(O)C2=C1[C@@H](O)[C@@H](C)OC2=O
Compound: Nigrosporapyrone B
SMILES: O=C1OC(=CC(=C1C=O)NCCO)[C@H]2[C@H]3[C@@H](C=C[C@@H]2C)[C@H](O)CCC3
Compound: Labetaomycin
SMILES: O=C(NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)[C@H](CC)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[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)CN)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CC1=CC=CC=C1)C)CC(=O)O)CCC(=O)N)CC(C)C)C(C)C
Compound: (E)-ethyl 8-oxooctadec-9-enoate
SMILES: O=C(OCC)CCCCCCC(=O)/C=C/CCCCCCCC
Compound: Ganbajunin B
SMILES: O=C(OC1=C(C(OC(=O)CC2=CC=CC=C2)=C3OC4=C(C3=C1OC(=O)CC5=CC=CC=C5)C=C(O)C(=C4)O)C6=CC=C(O)C=C6)CC7=CC=CC=C7
Compound: Anabaenopeptin A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)C)C
Compound: Dichomilludol
SMILES: O1C2(C3(CC3)C(C1)(O)[C@@H](O)[C@H]4[C@@H]2C[C@](CO)(C)C4)C
Compound: Citreohybridone G
SMILES: O=C1C(=C(OC)[C@@]2([C@]1(C(=CC3[C@@]4(C=O)C(C([C@@H](OC(=O)C)CC4)(C)C)CC[C@]23C)C)C)C(=O)OC)C
Compound: Dihydroepiheveadride
SMILES: O=C1OC(=O)C2=C1C(C(CC=3C(=O)OC(C3CC2)O)CC)CCC
Compound: Roseothricin (H-277)
SMILES: O=C(NC(C(O)C(O)CCO)CNC1=NCC(N1)C(O)(C=O)CN)CC(N)CCCN
Compound: Chrysaibol
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)C)CCC(=O)N)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC=2C3=C(C=CC=C3)NC2)(C)C)(C)C)CC(C)C)C(C)C)CCC(=O)N)(C)C)(C)C)(C)C)CCC(=O)N)CC(C)C)(C)C
Compound: (1S,2R,11R,14R,16S,17S)-2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.01,14.02,11.04,9]nonadeca-4(9),5,7,12-tetraene-3,10,18-trione
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@]3([C@]1(O)C=C[C@@]45C[C@@](O)(C)[C@@H](C([C@]35O4)=O)O)O
Compound: 4-Hydroxy-1,8-epi-isotenerone
SMILES: O=C1[C@@H](O)[C@H]([C@@]2(CC3C(C2([C@@H]1C)CC3)=C)C)C
Compound: A-pisosterol
SMILES: O=C(O[C@@H]([C@@H](O)C(=C)C(C)C)[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)C)C
Compound: (S,E)-3-methyl-2-(N-methylacetamido)-N-(2-(7-(3-methylbut-2-enyl)-1H-indol-3-yl)vinyl)butanamide
SMILES: O=C(N/C=C/C=1C2=C(C(=CC=C2)CC=C(C)C)NC1)[C@@H](N(C(=O)C)C)C(C)C
Compound: Sordarin D
SMILES: O=C1C(=C(C)C)[C@]2(C(=O)O)[C@@]3(C=O)[C@@H]4CC[C@H]([C@H]4C[C@@]2([C@@H]1C3)CO[C@@H]5O[C@@H]([C@@H](OC)[C@H]([C@@H]5O)O)C)C
Compound: Cucumin C
SMILES: O=C1C2=CC3=CC(=O)[C@@H]([C@]3([C@@]24O[C@H]4C1(C)C)C)C
Compound: Vicanicin
SMILES: ClC1=C(OC)C(=C2OC(=O)C3=C(OC2=C1C)C(=C(O)C(=C3C)Cl)C)C
Compound: Bacillcoumacin F
SMILES: S([C@H]1[C@@H](OC(C1)=O)[C@H](O)C(=O)N[C@H]([C@H]2OC(=O)C=3C(O)=CC=CC3C2)CC(C)C)C
Compound: Terreumol D
SMILES: O=C1C2=C(O)C=C(OC)C(=C2CC(=C[C@H](C[C@@]3([C@@H]1O3)C)O)C)O
Compound: Solaninaphthoquione
SMILES: O=C1C2=C(O)C(OC)=CC=C2C(=O)C(=C1CC(=O)C)C
Compound: (2S,3S,4S)-3,4-dihydroxy-2-methyl-7-[(2R,3R)-3-methyloxiran-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILES: O=C1OC(=CC2=C1[C@H](O)[C@H](O)[C@@H](O2)C)[C@@H]3O[C@@H]3C
Compound: SB-219383
SMILES: O=C(O)C(NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H]2N(O)[C@H]3OC[C@]([C@H]2O)(O)[C@H]3O
Compound: Colletobredin B
SMILES: O1[C@@H](OC2=C(C(O)=C3CO[C@H](CC3=C2C)CCCCC)C)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
SMILES: O=C(N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC1)C(C)C)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2
Compound: Forphenicine
SMILES: O=C(O)[C@H](N)C1=CC(O)=C(C=O)C=C1
Compound: Sydowiol E
SMILES: O(C1=C(O)C=C(C)C=C1O)C2=C(OC3=C(O)C(O)=CC(=C3)C)C(O)=CC(=C2)C
Compound: 6-methoxy-3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene
SMILES: O=C1C2=C(O)C=CC3=C2[C@](O)([C@@H]4[C@@H](O)CC(C=5C4=C3C=CC5O)=O)[C@@H](C1)OC
Compound: 21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol
SMILES: O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@H](CO)CC/C=C(/CO)\C)C)C
Compound: 2'-O-methylhypostictic acid
SMILES: O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)OC)OC4=C1C(=CC(=C4C)OC)C
Compound: Mabetaarigenin E
SMILES: O=C(O)[C@@H]1[C@@H](O)[C@@H](O)C=C[C@H]1C
Compound: Ambactin
SMILES: O=C1N[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]1CO)=O)CCCCN)=O)CC2=CC=CC=C2)CC(C)C)CC3=CC=CC=C3)CCC(=O)N
Compound: 2-Butyl-3,6-dimethylpyrazine
SMILES: N1=C(C(=NC=C1C)C)CCCC
Compound: Pyripyropene D
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C(O)C4C5(C(C(C(OC(=O)CC)CC5)(COC(=O)C)C)CC(C4(O3)C)OC(=O)C)C
Compound: Hapalindole F
SMILES: Cl[C@@H]1[C@@](C=C)([C@@H](N=C=S)[C@@H](C=2C3=C(C=CC=C3)NC2)[C@@H](C1)C(=C)C)C
Compound: Corynechromone F
SMILES: O=C1C2=C(O[C@H](C1)C[C@@H](O)C)C=C(O)C=C2CC(=O)O
Compound: Illudin H
SMILES: O=C1C2=C([C@](O)(C)C3([C@@]1(O)C)CC3)[C@H](O)C([C@H]2O)(C)C
Compound: Chalcomycin B
SMILES: O=C1OC(C(C2OC2C=CC(=O)C(CC(C(C(C=C1)C)O[C@H]3O[C@H](C[C@H]([C@@H]3OC(=O)CC)OC)C)C)(O)C)CO[C@@H]4O[C@@H]([C@@H](OC(=O)CC)[C@H]([C@H]4OC)OC)C)C
Compound: Inonotin L
SMILES: O[C@@]1([C@H](O)C[C@@H]2[C@](CO)(C)[C@@H]2[C@@H]3[C@H]1CC[C@@H]3C)C
Compound: 1-(Xylarenone A)xylariate A
SMILES: O=C1C=C2[C@]([C@H](CC[C@H]2OC(=O)C(C(O)/C(=C/C(CC)C)/C)C)C)(C)[C@@H]3[C@]1(O3)C(=C)CO
Compound: Diaporol B
SMILES: O=C1C([C@@]2(O)[C@]([C@H]([C@@](O)(C)CC2)CO)(C)CC1)(C)C
Compound: Igniaren C
SMILES: O[C@H]1[C@H](C2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)C
Compound: 7-o-malonyl macrolactin A
SMILES: O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)OC(=O)CC(=O)O)C
Compound: Avellanin A
SMILES: O=C1N2[C@H](C(=O)N([C@@H](C(=O)N[C@H](C)C(N[C@H](C(NC3=C1C=CC=C3)=O)C(CC)C)=O)CC4=CC=CC=C4)C)CCC2
Compound: Fumagiringillin
SMILES: O=C(O[C@H]1[C@@H](OC)[C@H]2[C@@](O)(CO[C@@]2([C@H](O)CC=C(C)C)C)CC1)/C=C/C=C/C=C/C=C/C(=O)O
Compound: (E)-4-[(1aR,7aR,7bR)-3-[(E)-hept-1-enyl]-6,6-dimethyl-2-oxo-7a,7b-dihydro-4H-oxireno[2,3-h][1,3]benzodioxin-1a-yl]-2-methylbut-2-enoic acid
SMILES: O=C1C(=C2[C@@H](OC(C)(C)OC2)[C@@H]3[C@]1(O3)C/C=C(/C(=O)O)\C)/C=C/CCCCC
Compound: Spiroidesin
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCC)CCC1=CC=C(O)C=C1)CCC2=CC=C(O)C=C2)CC3=CC=CC=C3
Compound: CJ-12,954
SMILES: O=C1OC(CCCCCC[C@@H]2O[C@]3(O[C@@H](C)CC3)CC2)C=4C1=C(OC)C=C(OC)C4
Compound: TPU-0037-B
SMILES: O=C1NCC(C1=C(O)C2(C(C(=CC3C2CCCC3O)C)/C=C/C(C(O)/C(=C/CC(O)/C=C/C(C(O)/C=C/CC(O)/C(=C/CC(O)CC4N(C(=N)N)CCC4)/C)C)/C)C)C)=O
Compound: Orsellide C
SMILES: O=C1C(OC(=O)C2=C(O)C=C(O)C=C2C)C(OC(C1)C)OC
Compound: Lipoamide C
SMILES: O=C(O)[C@@H](NC(=O)CCCCCCCCCC(C)C)CC(=O)N
Compound: Ambiguine K isonitrile
SMILES: Cl[C@H]1[C@](C=C)([C@@]2([N+]#[C-])C=CC(C)(C)C3=C4[C@]2(O)[C@H](C1)C(C=5C=CC=C(C45)N3)(C)C)C
Compound: Italicene
SMILES: C1(=C[C@H]2[C@@]3([C@H](CC[C@@H]3C2(C)C)C)CC1)C
Compound: Cochliomycin D
SMILES: O=C1O[C@H](CC=CC(=O)[C@@H](O)[C@@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C
Compound: Granulone A
SMILES: O=C1C(=C2[C@@](CC2)(CO)[C@@]3(C1=CC(C)(C)C3)O)C
Compound: Fomentarol C
SMILES: O([C@@H]1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@@]4([C@]1(O)C[C@@H](O)CC4)C)CC
Compound: Decarboxydivaricatic acid
SMILES: O=C(OC1=CC(O)=CC(=C1)CCC)C2=C(O)C=C(OC)C=C2CCC
Compound: Pintulin
SMILES: O=C1OC2=C[C@@H](OCC3=CC(O)=CC=C3)OCC2=C1
Compound: Chaetoglobolsin-510
SMILES: O=C1C=CCCC(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](CC)C(=C2)C)[C@@H](C=4C5=C(C=CC=C5)NC4)C)C)C
Compound: Brevione D
SMILES: O=C1C=C([C@@H]2CC[C@@]3([C@@H]([C@]2(C=C1)C)CC=C([C@]34OC=5C(=C(C)OC(C5[C@@H]4O)=O)C)C)C)C
Compound: Akodionine
SMILES: O=C1N2C(=O)N[C@H]([C@H]2CCC1)C(C)C
Compound: Officinalic acid
SMILES: O=C1O[C@]23O[C@]4([C@H]1[C@@]5([C@H](C(CCC5)(C)C)CC4=O)C)CC[C@H]2[C@H](C(=O)O)[C@]6(CCCC([C@@H]6C3)(C)C)C
Compound: Cyclothialidine C
SMILES: S1CC2=C(C(=O)OC[C@@H](C(N[C@@H](C1)C(=O)N[C@H](C(=O)O)C)=O)NC(=O)[C@H]3N(C(=O)[C@@H](N)C)CC[C@H]3O)C(=C(O)C=C2O)C
Compound: Merocyclophane B
SMILES: O=C1C(O)=C2C(=O)C=C1[C@@H](CCCCC[C@@H](C3=C(O)C=C([C@@H](CCCCC[C@@H]2CCCC)C)C=C3O)CCCC)C
Compound: Splenocin F
SMILES: O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CCCCC)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Compound: Cephalosporolide J
SMILES: O=C1O[C@@H](CCC(=O)C[C@@H]([C@@H](C1)O)O)C
Compound: Culicinin A
SMILES: O=C(N[C@H](C(=O)NCCC(=O)NC(CNCCO)C)CC(C)C)C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)CCC)CCC1)CC(CC(O)CC(=O)CC)C)C)C)CC(CCCCCC)C)CC(C)C)(C)C
Compound: Aeruginosin 98-C
SMILES: BrC1=C(O)C=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)OS(=O)(=O)O)C[C@H]2C(=O)NCCCCN=C(N)N)[C@@H](CC)C
Compound: Enniatin G
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C
Compound: Drechslerine F
SMILES: O=C1OC[C@@H]2[C@H]1[C@@H]3C4(OC4)[C@]2(CC[C@@H]3C(C)C)C
Compound: (+)-(1R,6S,7S)-tremul-2-ene-12(11)-lactone
SMILES: O=C1OCC2=C1CC[C@H](C)[C@H]3[C@]2(O)CC(C)(C)C3
Compound: Eicosene
SMILES: C(=C)CCCCCCCCCCCCCCCCCC
Compound: 1-Hydroxymethyl-4-methyl-7-isopropenylaz
SMILES: OCC1=C2C(=C(C=CC(=C2)C(C)C)C)C=C1
Compound: DKxanthene 520
SMILES: O=C(NC(C(=O)O)C(O)C(=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
Compound: Flavipesin B
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC=CC=C2)C(=C1O)C3=CC=CC=C3
Compound: Macquarimicin C
SMILES: O=C1OC2CC(C13C(C[C@H]4C=C[C@H]5[C@@H]([C@H]4[C@@H]3CC(=O)C)C[C@@H](C)C5=O)C2)=O
Compound: Tolyporphin D
SMILES: O=C1C=2N=C(C1(C3OC(C(O)CC3O)C)C)C=C4NC(=CC5=NC(=CC=6NC(C2)=C(C6)C)C(C5=O)(C7OC(C(O)CC7O)C)C)C=C4C