MonarchInit/C3PO huggingface dataset:
Compound: Mathemycin B
SMILES: O=C1OC(C(C(OC2OC(C(O)C(C2O)N)C)CC(O)CC(O)C(C(O)CC(O)CC(O)C(C(O)CC(O)CC(O)C(C(C(C=C(C(C(C=C(C(C(C=CCCC(C(CC1)C)O)C)O)C)C)O)C)OC3OC(C(O)C(C3O)OC4OC(C(O)C(C4O)O)CO)CO)O)C)C)C)C)C(CC(CCCCCCN)C)C
Compound: Marinoquinoline G
SMILES: N=1C2=C(N(C=3C=CC=CC3C2=CC1)C)C
Compound: Sarcodonin I
SMILES: O=CC1=CC=C2C3=C([C@@H](CO)C)CC[C@]3(CO)CC[C@]2([C@H](C1)O)C
Compound: W-Cycloheptyltridecanoic acid
SMILES: O=C(O)CCCCCCCCCCCCC1CCCCCC1
Compound: Azaphilone Multiformin D
SMILES: O=C1C=C2C(=COC(=C2)[C@H]3C(=O)C[C@H](O)C[C@@H]3C)C=4[C@@]1(OC(=O)C4C(=O)C(CC)C)C
Compound: Chanoclavine II
SMILES: OC/C(=C/[C@H]1C2=C3C(NC=C3C[C@H]1NC)=CC=C2)/C
Compound: Cucurbitacin B oleyl ester
SMILES: O=C1C(C2=CC[C@H]3[C@]4([C@](C(C(O)(C(=O)/C=C/C(OC(=O)C)(C)C)C)[C@@H](C4)OC(=O)CCCCCCC/C=C\CCCCCCCC)(C)CC([C@]3([C@@H]2C[C@@H]1O)C)=O)C)(C)C
Compound: Antimycin A7b
SMILES: O=C1O[C@H]([C@H](OC(=O)CCC)[C@@H](CCC(C)C)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Neocosmosin B
SMILES: O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Rugulotrosin A
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H]([C@]6(C(=O)OC)OC5C=C4C)O)=C(C)C=C3O[C@@]2(C(=O)OC)[C@H](O)CC1
Compound: Deoliosyl-3C-beta-D-mycarosyl-mithramycin
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O)C)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@](C7)(O)C)C)C)[C@H](OC)C(=O)[C@@H](O)[C@H](O)C)C
Compound: Peniazaphilone B
SMILES: O=C1C=C2C(=CN(CCCC(=O)O)C(=C2)C=CC(=C[C@H](CC)C)C)C=3[C@]1(OC(=O)C3C(=O)C)C
Compound: 4-Carboxymethyl-2,4-dimethylbut-2-en-1,4
SMILES: O=C1O[C@](CC(=O)O)(C)C=C1C
Compound: Ophiobolin L
SMILES: O=C1OC2(O)C[C@](O)(C)[C@@H]3[C@H]2C1=CC[C@H]4[C@]5(O[C@@H](C=C(C)C)C[C@@H]5C)CC[C@]4(C)C3
Compound: Concentricol D
SMILES: O=C(OC/C(=C/CC[C@@]1([C@H]2O[C@]([C@H]1CC/C=C(/CCC(O)C(O)(CC/C=C(/CO)\C)C)\C)(C)CC2)C)/C)C
Compound: IC-202-A
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)CCC(=O)NCCCCC/[N+](/[O-])=C/CCC
Compound: (2S,10R,3'S,4'S,6'S)-4'-deacetyl-griseusin B
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@@]4(O[C@H](C3)CC(=O)O)O[C@H](C[C@@H]([C@@H]4O)O)C
Compound: Platensimycin A2
SMILES: O=C1C=C[C@@]23[C@H](O)C4C[C@@H](C2[C@@]1(CCC(=O)NC5=C(O)C(C(=O)O)=CC=C5O)C)O[C@]4(C3)C
Compound: Salinosporamide F
SMILES: ClCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3
Compound: (2R)-2-[(5R,10S,13R,14R,16S,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-oxoheptanoic acid
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=O)C(C)C)[C@H](C4)O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Phenazostatin A
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)[C@@H](OC4=CC5=NC=6C(=CC=CC6)N=C5C=C4)C)N=C2C=CC1
Compound: 6-demethylpenisimplicibetain
SMILES: O=C1C(=COC(=C1)C)[C@@H]2OC(=O)C=3C2=C(OC)C=C(O)C3
Compound: 6-hydroxymetatacarboline D
SMILES: O=C(N[C@H](C(=O)O)[C@H](O)C)C1=NC(=C2NC3=C(C2=C1)C=C(O)C=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: Spiroindimicin A
SMILES: ClC1=C2C3=C(NC=C3C4=C(C(=O)OC)NC(=C4[C@@]25C6=C(C=CC(=C6)Cl)N=C5)C(=O)OC)C=C1
Compound: 3alpha-oxepanoquercinic acid C
SMILES: O=C(O)C([C@H](C1(O[C@H]2[C@]3([C@](C=4CC[C@@H]5[C@@](C4C2)(CC[C@H](C5(C)C)O)C)(CC[C@@H]3[C@@H](C1)C)C)C)O)C)C
Compound: Corymbiferone
SMILES: O=C1C2=C3C(=C(OC=C3C(OC)=CC2=O)O)C(=C1)OC
Compound: Phomentrioloxin B
SMILES: O=C1C(C#CC(=C)CCC=C(C)C)=C[C@@H](O)[C@H]([C@@H]1O)OC
Compound: Pestafolide A
SMILES: O=C1C2=C(C[C@]3(O[C@H](CCC3)C)OC2)C[C@@H]([C@]1(O)C)O
Compound: Tricladolide A
SMILES: O=C1OC(=O)C(=C1/C=C/CCC/C=C/C(=O)O)C
Compound: 18-O-b-D-apiofuranosyl-(1-6)-b-D-glucopyranoside ofallo-murolic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO[C@@H]3OC[C@]([C@H]3O)(O)CO)C)[C@H](C1=C)C(=O)O
Compound: Trichothecinol C
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)[C@H](C3)O)O[C@H]([C@@H]1O)[C@]24OC4)C)C)/C=C\C
Compound: (4S)-4,8,10-trihydroxy-10-methyldodec-2-en-1,4-olide
SMILES: O=C1O[C@@H](CCCC(O)CC(O)(CC)C)C=C1
Compound: Aspinotriol B
SMILES: O[C@H](/C=C(/C=C/[C@@H](O)C)\CO)C
Compound: Pestalochromone B
SMILES: Cl[C@H]1C=2OC(CC(C2[C@H](OC)[C@@H]([C@H]1O)O)=O)(C)C
Compound: Inonotsulide B
SMILES: O=C1O[C@@H](C(O)(C)C)CC[C@@H]1[C@@H]2[C@@]3([C@@](C=4C([C@@]5(C(C([C@@H](O)CC5)(C)C)CC4)C)=CC3)(C)CC2)C
Compound: Cladosin C (major tautomer)
SMILES: O=C1NC(=C(C)C)C(=C1C(=N)/C=C/C[C@@H](O)C)O
Compound: Inonotusane C
SMILES: O=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
Compound: (1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-octanoic acid
SMILES: O=C1[C@@H]([C@@H](CCCCCCCC(=O)O)CC1)C/C=C\CC
Compound: 6,2'-Di-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose
SMILES: O=C(OC1C(OC(COC(=O)C)C(C1O)O)OC2OC(C(O)C(C2OC(=O)C)O)CO)CCCCCCCCCCCCCCCCC
Compound: Hebolomic acid I
SMILES: O=C(OC)C(NC(=O)CC(O)(CC(=O)O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@@H]5C(O[C@@H](C(O)(C)C)CC5)O)C)C)(C)C)C)C(CC)C
Compound: Hamigeran G
SMILES: BrC1=C(O)C=2C(=O)C(=O)C[C@]3([C@@H](C2C=C1C)[C@@H](C(C)C)CC3)C
Compound: 7-deoxy-cytochalasin Z7
SMILES: O=C1O[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@@H]([C@H]([C@H](C=C1)C)O)C)C)CC4=CC=CC=C4
Compound: FR209602
SMILES: S(=O)(=O)(OC1=C(O)C=CC(=C1)CC(O)C2NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCCCCCC)CC(C(NC(C4N(C(C(NC2=O)C(O)CC(=O)N)=O)CC(C)C4O)=O)O)O)CO)CC(C3)O)O
Compound: Kalkipyrone A
SMILES: O=C1C(=C(OC(=C1C)C/C=C(/C/C=C/C(=C/[C@H](O)C)/C)\C)OC)C
Compound: Tryptoquivaline Q
SMILES: O=C1N(C=NC2=C1C=CC=C2)C(C(=O)O)C[C@]3(O)C4=C(C=CC=C4)N5[C@H]3NC(C)(C)C5=O
Compound: Macrolactin S
SMILES: O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)[C@H](C=CC=C[C@H](CC=CC=C1)O)O)C
Compound: Falconensin C
SMILES: ClC1=C(OC)C(Cl)=C(C)C(=C1OC)C(=O)O[C@]2(C(=O)C=C3C=C(/C=C/C)OC[C@H]3[C@@H]2OC(=O)C)C
Compound: N-Butylglucosamine ester derivative A
SMILES: O=C(OC1OC(C(O)C(C1NC(=O)CCC)O)CO)C(NC(=O)CCCCC/C=C\CCCCCCCC)C(C)C
Compound: Cyslabdan
SMILES: S(C[C@@]1(O)[C@@H](O)C[C@H]2C(CCC[C@@]2([C@H]1C/C=C(/C=C)\C)C)(C)C)C[C@H](NC(=O)C)C(=O)O
Compound: Amythiamicin C
SMILES: S1C2=NC(=C1C)C(=O)NC(C=3SC=C(N3)C(=O)NCC(=O)NC(C(C)C)C4=NC(C5=NC(C6=C(C7=NC(C(NC2CC(=O)NC)=O)=CS7)C=CC(=N6)C=8SC=C(N8)C(=O)OCC9NC(=O)C%10CCCN%10C9=O)=CS5)=CS4)C(C)C
Compound: Seco[D-Asp(3)]microcystin-RR
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](/C=C/C(=C/[C@@H]([C@@H](OC)CC1=CC=CC=C1)C)/C)[C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)NC)C)CCCN=C(N)N)CCCN=C(N)N)C)C(=O)C
Compound: (11aS)-2,3-dihydro-7-methoxy-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
SMILES: O=C1N2[C@H](C(=O)NC3=C1C=C(OC)C=C3)CCC2
Compound: Psychrophilin D
SMILES: O=[N+]([O-])[C@@H]1C(=O)N[C@H](C(=O)NC=2C=CC=CC2C(N3C=C(C1)C4=C3C=CC=C4)=O)CC(C)C
Compound: 7beta,9alpha-dihydroxypimara-8(14),15-diene
SMILES: O[C@@]12C(=C[C@](C=C)(C)CC1)[C@@H](O)C[C@@H]3[C@@]2(CCCC3(C)C)C
Compound: Stereumin F
SMILES: O[C@@]1(C2=CC[C@@H]3[C@@H](C)C[C@@H]([C@@H]3[C@@H]2[C@@H](C1=C)O)O)C
Compound: 3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid
SMILES: O=C(O)C(=CCC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)=C[C@H]2OC(=O)C)(C)[C@H](C1)OC(=O)C)C)C)C
Compound: Cephaibol A
SMILES: O=C(N1C(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC3=CC=CC=C3)CCC2)(C)C)CC(C1)O)C(NC(=O)C(NC(=O)C4N(C(=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)CC5=CC=CC=C5)(C)C)(C)C)(C)C)(C)C)CC(C)C)(CC)C)(C)C)CC(C4)O)CCC(=O)N)(CC)C
Compound: Asperamide A
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCCCC)\C)CO)[C@H](O)/C=C/CCCCCCCCCCCC
Compound: Jerangolid A
SMILES: O=C1O[C@@H](/C=C/[C@H](/C=C(/[C@@H]2O[C@@H](C(C)=CC2)CC)\C)C)CC(=C1CO)OC
Compound: Peptidolipin E
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(N2[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](OC)C)=O)C(C)C)=O)[C@H](CC)C)=O)CCC2)=O)C(C)C)[C@H](O)C)CCCCCCCCCCCCCCC/C=C\CCCCCCCC
Compound: Bioxalomycin alpha2
SMILES: O1[C@H]2N3[C@H]4[C@H](N5CCO[C@@H]5[C@H]6C[C@@H]2N(C)[C@@H]46)C=7C([C@@H]3C1)=C(O)C(OC)=C(C)C7O
Compound: (1S,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-9-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
SMILES: O=C(O[C@@H]1[C@H](OC)[C@H](O[C@H]([C@H]1O)OC[C@]23[C@@]4(C(C(C)C)=C[C@@H]2C[C@@]4([C@@H]5CC[C@H]([C@H]5C3)C)CO)C(=O)O)C)\C(=C/C=C/C)\C
Compound: 2-ethyl-1,8-dihydroxy-3-methyl-anthraquinone
SMILES: O=C1C2=C(O)C(=C(C)C=C2C(=O)C=3C1=C(O)C=CC3)CC
Compound: Microcystbiopterin C
SMILES: O=C1NC(=NC=2C1=NC(=CN2)[C@@H](O)[C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)OC)C)C)N
Compound: Benzocamphorin D
SMILES: O1C2=C(OC)C(OC3=C4OCOC4=C(OC)C(=C3)C)=C(C)C(=C2OC1)OC
Compound: 1-hydroxy-8-(hydroxymethyl)-3-methoxy-6-methyl-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)C)CO)C=C(OC)C=C2O
Compound: Deacetylisowortmin A
SMILES: O=C1C2=C(C[C@H](C=CC)OC2)C[C@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(OC)C=C3C
Compound: (1S,3aS,4R,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
SMILES: O[C@]1([C@@H]2[C@H]([C@@H](C)CC2)C[C@@H](CC1)C(O)(C)C)C
Compound: RP-66453
SMILES: O=C1NC2C(=O)NC(C(=O)O)CC3=CC=C(OC=4C=C(C2)C=C(C5=C(O)C=CC(CC(C(NC1C(CC)C)=O)N)=C5)C4O)C=C3
Compound: Microsphaeropsone C
SMILES: O=C1C2=C(OC3C1C(=C(O)C(C)=CO3)C(=O)OC)C=CC=C2O
Compound: Beauverolide N
SMILES: O=C1O[C@H]([C@H](CCCC)C)CC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H](C(N[C@@H]1CC(C)C)=O)C)=O
Compound: Squarrosidine
SMILES: O=C1OC(=CC(=C1CC=2C(=O)OC(/C=C/C3=CC=C(O)C=C3)=CC2O)O)/C=C/C4=CC(O)=C(O)C=C4
Compound: Jiangrine A
SMILES: O=CC=1N(C([C@H](O)[C@H](O)CO)=CC1)CCC2=CC=C(O)C=C2
Compound: Punctatin A
SMILES: O[C@]12C(C[C@@H]1[C@]3(C=C[C@H]([C@@]3(C)CC2)O)CO)(C)C
Compound: (1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
SMILES: O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(CC[C@H]4O)C)C)=O
Compound: A2315A
SMILES: O=C1N[C@@H](C(=O)O[C@@H]([C@@H](C=CC(=O)NCC=CC(=C[C@H](C[C@@H](CC2=NC1=CO2)O)O)C)C)C(C)C)C
Compound: Pyridindolol K2
SMILES: O=C(OCC1=NC(=C2NC3=C(C2=C1)C=CC=C3)[C@@H](O)CO)C
Compound: Cryptophycin 175
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H](/C=C/C3=CC=CC=C3)C
Compound: 2,3-dimethoxy-5-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione
SMILES: O=C1C(OC)=C(OC)C(=O)C=C1[C@H](C(=O)C)C
Compound: Citreohybridone L
SMILES: O=C1O[C@H]2C[C@]3([C@@]4([C@]15C2C([C@@H](OC(=O)C)CC5)(C)C)O[C@@H]6[C@](O)([C@H](OC(=O)C)[C@@](C(=C4)C)(C)[C@]36COC(=O)C)C)C
Compound: Wortmannine B
SMILES: O=C1O[C@@H]([C@@]2(C=3[C@H](O)C[C@]4([C@H](C3C([C@@]52[C@H]1[C@H](O)NC5=O)=O)CCC4=O)C)C)COC
Compound: Decarestrictine L
SMILES: O=C(C[C@@H]1O[C@H](CC[C@H]1O)C)C
Compound: N-[(2S,3R,4R)-7-[(3R,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctyl]hexadecanamide
SMILES: O=C(NC[C@H](O)[C@H](O)[C@H](O)CCC([C@@H]1C2[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)CCCCCCCCCCCCCCC
Compound: Xylabisboein A
SMILES: O=C1O[C@@H]2C=C3[C@H]4OCC[C@@]4(C)CC[C@@H]3[C@@]5([C@@H]2[C@@]1(CCC5)C)C
Compound: Roseophilin
SMILES: ClC1=C(NC=C1)C=2OC(C3=C4N=C5CCCCCCCC[C@@H]3[C@@H](C(C)C)C4=C5)=C(C2)OC
Compound: Arcticoside
SMILES: O=C1NC2=C(C=C(OC)C=C2C(=O)OC[C@H]3O[C@H](OC[C@H]4O[C@H](O)[C@H](O)[C@H]([C@@H]4O)O)[C@H](O)[C@H]([C@@H]3O)O)OC1=C
Compound: Allocyafrin B4
SMILES: O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2C(=CC3=O)C(C)C)C)C)CO
Compound: (2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyhexadecanoyl]amino-9-methyl-4,8-heptadecadiene
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCC
Compound: Salimabromide
SMILES: BrC1=C2C(=CC(=C1CC)Br)C([C@@]3(C=CC([C@@H]4[C@H]2[C@H]3C(=O)O4)=O)C)(C)C
Compound: Louisianin B
SMILES: O=C1NC=C(CC=C)C2=C1CC[C@@H]2O
Compound: Pladienolide C
SMILES: O=C1OC(/C(=C/C=C/C(CC2OC2C(C(=O)CC)C)C)/C)C(C=CC(OC(=O)C)C(CCC(C1)O)(O)C)C
Compound: Caprazamycin E
SMILES: O=C1N([C@H](C(=O)O)[C@@H](OC(=O)C[C@@H](OC(=O)C[C@@H](CC(=O)O[C@@H]2O[C@@H]([C@@H](OC)[C@H]([C@H]2OC)OC)C)C)CCCCCCCCCCC)CN([C@H]1C(O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H]4O[C@@H](N5C(=O)NC(=O)C=C5)[C@@H]([C@@H]4O)O)C)C
Compound: Nordysidenin
SMILES: ClC(Cl)(Cl)[C@H](CC(=O)N[C@H](C(=O)N[C@H](C=1SC=CN1)C)C[C@@H](C(Cl)(Cl)Cl)C)C
Compound: Gliocladine C
SMILES: S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C=6C7=C(C=CC=C7)NC6)C([C@]1(N(C)C3=O)C)=O
Compound: Agistatin B
SMILES: O1[C@H]2[C@]3(O)[C@H](CC[C@H]2CC)O[C@H]1C[C@@H]3O
Compound: (12E,15S,18S)-15-Hydroxy-18-bromo-12,16,17-octadecatrienoic acid
SMILES: BrC=C=C[C@@H](O)C/C=C\CCCCCCCCCCC(=O)O
Compound: (6R)-10-methyl-6-undecanolide
SMILES: O=C1O[C@H](CCCC1)CCCC(C)C
Compound: Thiazinotrienomycin B
SMILES: S1C2=C3NC(=O)CC(OC)C=CC=CC=CCC(C(C(C(=CCCC(=C3O)C=C2NC(C1)=O)C)O)C)OC(=O)C(NC(=O)C4CCCCC4)C
Compound: Dietziamide A
SMILES: O=C1NC(=CC)C(=C1CC=2C(=O)NC(C2O)=CC)O
Compound: Hypsiziprenol-BA10
SMILES: OC(C=C)(CC/C=C(/CC/C=C(/CCC(O)C(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)\C)\C)C
Compound: Aspochalasin F
SMILES: O=C1OC23C(=O)NC(C2C(C)C(=CC3C=C(CCC4C(C=C1)O4)C)C)CC(C)C
Compound: Brunsvicamide A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)[C@H](CC)C)CC2=CC=CC=C2)CC=3C4=C(C=CC=C4)NC3)C
Compound: [Ala2, Val11]cyclosporin
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(N[C@H](C(N[C@@H](C(N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)CC(C)C)C)C)C)C(O)C(C/C=C/C)C)C
Compound: Neocarzilin A
SMILES: ClC(Cl)(Cl)C(=O)/C=C(\O)/C=C/C=C/C=C/[C@H](CC)C
Compound: Maculalactone K
SMILES: O=C1[C@@](O)(C2=CC=CC=C2)[C@]34O[C@@H](C5=CC=CC=C5)[C@]3(OC([C@@]4(O)CC6=CC=CC=C6)=O)[C@@H](C1)C7=CC=CC=C7
Compound: Pullularin B
SMILES: O=C1O[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H](C(N([C@H]1CC)C)=O)CC3=CC=C(OCC=C(C)C)C=C3)=O)[C@H](CC)C)C)CO)CCC2)CC4=CC=CC=C4
Compound: Porpoisamide B
SMILES: O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](CC3=CC=CC=C3)C(N[C@H](C(N[C@@H]([C@H]1C)CCCCC)=O)C)=O)C)CCC2)[C@H](CC)C
Compound: Nostopeptolide A3
SMILES: O=C1N2C(C(=O)N[C@@H](C(=O)CC(=O)N[C@H](C(=O)NCC(N[C@H](C(N[C@H](C(N3[C@H](C(OCC1NC(=O)[C@@H](NC(=O)CCC)[C@H](CC)C)=O)CCC3)=O)CC4=CC=C(O)C=C4)=O)CC(=O)N)=O)CC(C)C)CC(C)C)C[C@@H](C2)C
Compound: Isochromophilone X
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)/C=C(/CC(=O)O)\C)C)=CN(CCO)C(=C2)C=C/C(=C/C(CC)C)/C
Compound: 7alpha,10alpha-dihydroxy-1beta-methoxyeremophil-11(13)-en-12,8beta-olide
SMILES: O=C1O[C@@H]2C[C@]3(O)[C@H](OC)CC[C@@H]([C@]3(C[C@@]2(C1=C)O)C)C
Compound: 3-epi-3-hydroxymugineic acid
SMILES: O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O
Compound: N-salicyloyl-2-aminopropan-1-ol
SMILES: O=C(N[C@H](CO)C)C1=C(O)C=CC=C1
Compound: Loloatin B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1CC3=CC=C(O)C=C3)=O)CC(C)C)=O)CCCN)=O)C(C)C)=O)CC=4C5=C(C=CC=C5)NC4)CC(=O)O)CC(=O)N)CC6=CC=CC=C6)CC7=CC=CC=C7)CCC2
Compound: Diolmycin B2
SMILES: OC1=CC=C(C[C@H](O)[C@@H](O)CC2=CC=C(O)C=C2)C=C1
Compound: Lucensimycin C
SMILES: O=C1[C@]2([C@@H](C=C[C@@H]3[C@@H]2C[C@@H](OC(=O)C)[C@@H]([C@H]3O)C)C[C@H]([C@@H]1C(=O)OC(C(=O)O)=C)/C=C/C=C/C=C/C(=O)O)C
Compound: Arthrinin A
SMILES: O=C1O[C@@H]2[C@@H](O)C=3C(=C(C)C=C(C3[C@@]45[C@H]2[C@]1(CC[C@@H]4C5)C)O)C=C
Compound: (-)-chizhine B
SMILES: O=C1O[C@H](C=C(C)C)C[C@@H]1CC(=O)C2=C(O)C=CC(=C2)O
Compound: (+/-)-ethylitaconic acid
SMILES: O=C(O)C(=C)[C@@H](C(=O)O)CC
Compound: Kigamicin D
SMILES: O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(OC%10OC(C(O)C(C%10)OC)C)C(C9)OC)C)CC8)C)CC7O)OC6C%11=C5C(OCO%11)CC4C3)C
Compound: Phellilin B
SMILES: O=C(O)C=C([C@H]1[C@@H](O)C2C(CCC=C2C1)(C)C)C
Compound: Splenocin G
SMILES: O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Compound: 7-Hydroxy-8,16-dimethyl-9-octadecenoic acid
SMILES: O=C(O)CCCCCC(O)C(/C=C\CCCCCC(CC)C)C
Compound: 2-hydroxyethyl-3-methyl-1,4-naphthoquinone
SMILES: O=C1C2=C(C(=O)C(=C1CCO)C)C=CC=C2
Compound: Carnobacteriocin B2
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)C(C)C)CC(=O)N)CC1=CC=C(O)C=C1)CC(=O)N)C(C)C)CO)C(=O)NC(C=O)CO
Compound: Protorubradirin
SMILES: O=[N+]([O-])C1(C(OC)C(OC(C1)OC2=C(O)C(=NC(=C2)C(=O)NC=3C(=O)OC=4C=C(OC)C=CC4C3O)C(=O)OC5C(O)C(=O)C6(OC7=C(C(=O)C8=C(C(C(C(=CC5C)C)=O)=C(O)C(=C8)C)C7=O)NC6)C)C)C
Compound: Astellolide B
SMILES: O=C1OCC2=C1C[C@@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]4[C@@]2(CCC[C@@]4(COC(=O)C)C)COC(=O)C
Compound: (6S)-4,6-Dimethyldodeca-2E,4E-dienoic AC
SMILES: O=C(O)/C=C/C(=C/[C@H](CCCCCC)C)/C
Compound: Indazole-3-carbaldehyde
SMILES: O=CC=1NN=C2C1C=CC=C2
Compound: Isovellerdiol
SMILES: OCC1=C[C@@H]2[C@@H](CC(C2)(C)C)[C@]3([C@@]1(C3)CO)C
Compound: 11-oxo-lucidadiol
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(CC[C@@H]([C@]4(C1)C)[C@@H](CCC=C(CO)C)C)C
Compound: Microginin 645
SMILES: ClCCCCCC(N)C(O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC2=CC=C(O)C=C2)C)CC3=CC=C(O)C=C3
Compound: 2S,3R,7S-trihydroxy-carophyllan-[4,7]-6,8-oxide
SMILES: O1[C@@]2(O)C(=C)[C@@H]3[C@@H](C(C)(C)C3)[C@@H]([C@@H]([C@]2(C)CC1)O)O
Compound: Phenoxan
SMILES: O=C1C(=C(OC(=C1C)OC)C=2N=C(CC/C(=C/C3=CC=CC=C3)/C)OC2)CC
Compound: Indimicin D
SMILES: ClC1=CC=2C=3C=4C(=CNC4)[C@@]5(C=6C=C(Cl)C=CC6N([C@@H]5C3NC2C=C1)C)C
Compound: Fomefficinic acid B
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([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: (2R,4R)-3,4-dihydro-5-methoxy-2-methyl-2H-1-benzopyran-4-ol
SMILES: O1C2=C(C(O)=CC=C2)[C@H](OC)C[C@H]1C
Compound: Truncateol I
SMILES: Cl[C@@H]1[C@@]2(O)[C@@H](O[C@H](C2)C(O)(C)C)C\C(\[C@H]1O)=C\C=C(C)C
Compound: Oxirapentyn J
SMILES: O=C(O[C@H]1C(O[C@H]2[C@@H]3O[C@]3(C#CC(=C)C)[C@H]([C@@H]([C@@]2(C1)O)O)O)(C)C)C
Compound: F-10748 D1
SMILES: O=C(OC1C(O)C2(OC(C1OC3OC(C(O)C(C3O)O)COC(=O)CCCCC)CO)OCC=4C2=C(O)C=C(O)C4)/C=C/C=C/CC(O)C(CCC/C=C/C(CC)C)C
Compound: (3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
SMILES: O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(NC1(C)C)=O)CCCCCC(=O)CC)CCC2)CC3=CC=CC=C3
Compound: 23-(10-methyl)undecanoic acid demalonylazalomycin F4a ester
SMILES: O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCCCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)N)C
Compound: (+)-(3S,6R,7R,10S)-tremul-1-ene-6,10,12-triol
SMILES: O[C@]1([C@H]2C(=C(C)[C@H](CC1)CO)[C@@H](O)C(C2)(C)C)C
Compound: Streptazone B1
SMILES: O=C1/C(/C2=CCCNC2=C1)=C\C
Compound: Pileotin A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C
Compound: Thielavin O
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C(=C3C)C)C)C(=C2C)C)C
Compound: Penicimarin D
SMILES: O=C1OC(=C(CO[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)COC(=O)C)C=3C1=C(O)C=C(O)C3)C
Compound: Annularin G
SMILES: O=C1OC(C[C@@H](O)CC)C(=C1)OC
Compound: Astropyrone
SMILES: O=C1OC=C(/C(/C=O)=C\CC)C2=C1C[C@@H]3[C@@H](/C=C/C)CO[C@@]3(O2)C
Compound: Ascochytatin
SMILES: O1C=2C3=C(C=CC=C3C(O)=CC2)O[C@@]14C5=C(O)C=CC(=C5[C@@H](O)[C@@H]6[C@H]4O6)O
Compound: (9R,14S)-epoxy-11-deoxyfunicone
SMILES: O=C1C=C(O[C@@H]2[C@]1(O2)C(=O)C3=C(OC)C=C(OC)C=C3C(=O)OC)/C=C/C
Compound: Thiomuracin B
SMILES: S1C2=NC(=C1C)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C(=O)N[C@@H]([C@H](C(O)C)C)C4=NC(C5=NC(C6=C(C7=NC(C(N[C@H]2CC(=O)N)=O)=CS7)C=CC(=N6)C=8SC=C(N8)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=CS5)=CS4)CC9=CC=C(O)C=C9)[C@H](O)C%10=CC=CC=C%10
Compound: Miuraenamide D
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(\OC)/C3=CC=CC=C3)=O)C)C)C)C
Compound: Desferrioxamine X6
SMILES: O=C1N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCCNC(CCC(NCCCCCCNC(CC1)=O)=O)=O
Compound: Polylisin B
SMILES: O=C1C=CC2=C[C@]3(OCC([C@@]3(C[C@@]2([C@@]1(O)C)C)O)=C)O
Compound: 6-(3',3'-dimethylallyloxy)-4-methoxy-5-methylphthalide
SMILES: O=C1OCC2=C1C=C(OCC=C(C)C)C(=C2OC)C
Compound: 3-O-butyl-4a,10a-dihydrofusarubin A
SMILES: O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCCC)C
Compound: Terferol
SMILES: O(C1=C(C(O)=C(O)C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C
Compound: Stachyline A
SMILES: O(C1=CC=C(C/C=N/O)C=C1)C[C@@H](O)C(=C)C
Compound: Blazeispirol A
SMILES: O1C2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C
Compound: SB 253517
SMILES: O=C1O/C(=C/C(=O)NC(=O)C[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)CCCCCCCCCCCCC)/[C@@H]3N1CCC3
Compound: Pandangolide 3
SMILES: S(C1C(=O)C(O)CCCCCC(OC(C1)=O)C)CC(O)C(=O)OC
Compound: Makomotine C
SMILES: O=C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)/C=C(\CCCCCC(O)C)/C
Compound: Pestaloficiol J
SMILES: O=C1C2=C(OC(C1)(C)C)C(=CC(=C2)O)CC=C(C)C
Compound: Pyxipyrrolone B
SMILES: O=C1NC(=C)C2=C1C3=C([C@](/C(=C/C=C/C=C/C([C@H](O)CC)C)/C)(C)[C@@H]2C(=O)O)CC[C@H]([C@@H]3C)O
Compound: Aspoquinolone C/D
SMILES: O=C1NC2=C(C(O)=C(/C=C/C3(OC(C(O)CC3)(C)C)C)C=C2)[C@]([C@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: 8-O-methylnidurufin
SMILES: O=C1C2=C(O)C3=C(O[C@]4(CC[C@@H]([C@@H]3O4)O)C)C=C2C(=O)C=5C1=C(OC)C=C(O)C5
Compound: Anmindenol A
SMILES: OCC=1C2=C(C=C(C)C=C2)\C(\C1)=C\C(C)C
Compound: Nobilamide B
SMILES: O=C(O)/C(/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)CC)CC1=CC=CC=C1)CC(C)C)CC2=CC=CC=C2)[C@H](O)C)C(C)C)C)=C/C
Compound: Xantholipin
SMILES: ClC1=C(OC)C=2OC3=C4OCO[C@H]5C4=C([C@@]6(O)C(=O)C=7C(=O)NC(C)=CC7C([C@H]6C5)=O)C(=C3C(C2C=C1)=O)O
Compound: Topostin B-553
SMILES: O=C(O[C@@H](CC(=O)NCC(=O)O)CCCCCCCCCCCCC)CCCCCCCCCCCC(C)C
Compound: Epothilone I1
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@@H](C)CCCCCC=CC2)C)(C)C)\C)C
Compound: (Z)-15-Methylhexadec-10-en-2-one
SMILES: O=C(CCCCCCC/C=C\CCCC(C)C)C
Compound: Amphibactin T
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCC)CCCN(O)C(=O)C)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C
Compound: Craterellin D
SMILES: O1[C@]2([C@H](O)[C@@H](O)C([C@H]([C@@H]12)O)=C)C[C@H]3C(=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C
Compound: N-[2-(3-Pyridyl)-ethyl]-L-glutamic acid
SMILES: O=C(O)[C@@H](NCCC1=CN=CC=C1)CCC(=O)O
Compound: Cyclo(D)-Pro-(D)-Leu
SMILES: O=C1N2[C@@H](C(=O)N[C@@H]1CC(C)C)CCC2
Compound: Stereocalpin A
SMILES: O=C1O[C@H]([C@@H](C(=O)[C@H](C(=O)N[C@H](C(N([C@H]1CC2=CC=CC=C2)C)=O)CC3=CC=CC=C3)C)C)CCC
Compound: Homotemsirolimus B
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(=O)C(CO)(CO)C)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)CC)C)C)CCCC2
Compound: UK-78614
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)[C@@H]([C@H]3O)OC(=O)C(C)C)O[C@@H](C2)CC=C([C@H](O)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Compound: Isomarinone
SMILES: BrC1=C(O)C=2C(=O)C=3O[C@]([C@@H]4CCC(=C[C@@H]4C3C(C2C=C1O)=O)C)(CCC=C(C)C)C
Compound: 16-deacetoxy-7beta-hydroxyfusidic acid
SMILES: O=C(O)/C(=C\1/[C@H]2[C@]([C@@]3([C@H]([C@@]4([C@H]([C@@H]([C@H](O)CC4)C)C[C@@H]3O)C)[C@@H](C2)O)C)(C)CC1)/CCC=C(C)C
Compound: Trichodermatide A
SMILES: O=C1C2=C(O[C@]3(O)[C@@H](O)CC[C@@]45[C@H]3[C@H]2C[C@@H]([C@H](CCCCCC)O4)O5)CC[C@H]1O
Compound: 3-methyl-N-(2-phenylethyl)butanamide
SMILES: O=C(NCCC1=CC=CC=C1)CC(C)C
Compound: 7-hydroxy-3, 5-dimethyl-isochromen-1-one
SMILES: O=C1OC(=CC2=C1C=C(O)C=C2C)C
Compound: Steperoxide C
SMILES: O1O[C@H]2[C@H](O)CC[C@]3([C@]1([C@@H](O)CCC3(C)C)C)C2
Compound: Caryophyllose
SMILES: O1C(O)[C@H](O)C[C@]([C@H]1C)(O)[C@@H](O)C[C@H](O)[C@H](O)[C@H](O)C
Compound: (2S)-2-(6-methylheptyl)-2H-uran-5-one
SMILES: O=C1O[C@@H](CCCCCC(C)C)C=C1
Compound: 5-methylmellein
SMILES: O=C1O[C@H](CC=2C1=C(O)C=CC2C)C
Compound: Ophioceric acid
SMILES: O=C1C(=C2CC(C[C@@H]3[C@@]([C@@H]2C1)(C(=O)O)C3)(C)C)C
Compound: Thalabetaospiramide A2
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Pyrenulic acid D
SMILES: O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@@H]([C@@H]1O)[C@H]4[C@@H](CC(C)=CC4)C=C3C
Compound: 3-fluorobenzoic acid
SMILES: OC(=O)c1cccc(F)c1
Compound: N-Benzoyl-l-leucine methyl ester
SMILES: O=C(N[C@H](C(=O)OC)CC(C)C)C1=CC=CC=C1
Compound: MF-EA-705beta
SMILES: O=C(O)C/C=C/C=C/C=C(\C1=C(C=C(C)C=C1)/C=C\CC)/C
Compound: 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosylphthalide
SMILES: O=C1OCC=2C1=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C(=C(OC)C2C)C
Compound: Pinnatifidone
SMILES: BrC1C(Cl)(CC2OC3C(C2(C1)C(C(=O)C3)C)(C)C)C
Compound: Virescenoside Z8
SMILES: O=C(O)C1OC(OC[C@@]2([C@@H]3C=CC4=C[C@](C=C)(C)CC[C@@H]4[C@]3(C[C@H]([C@H]2O)O)C)C)C(O)C(C1O)O
Compound: Stachybotrin B
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CC/C=C(/CCC=C(C)C)\C)C
Compound: XK-90
SMILES: O=C(NNC1=CC(=C(O)C=C1)C=O)C
Compound: Decalpenic acid
SMILES: O=C(O)/C=C/C=C/C=C/C(=C/[C@]1([C@H]2[C@H](C=C[C@H]1CCC)CC(C)=CC2)C)/C
Compound: 3-ethyl-5-(2-methylpropyl)-1,2,4-trithiolane
SMILES: S1SC(CC)SC1CC(C)C
Compound: Cadina-1(10),6,8-triene
SMILES: C1(=C2C(=C(C)C=C1)CC[C@@H](C2)C)C(C)C
Compound: Kyanomycin
SMILES: P(=O)(OCC(OC(=O)C(O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCNC=1C2=C(O)C=3C(=O)C4=C(O)C=CC=C4C(C3C(=C2C(C(=O)OC)=C(C1)CC)O)=O)O
Compound: Venezueline B
SMILES: O=C1NC2=NC=3C=C(CO)C=CC3O[C@]42[C@@H]1CC[C@H]4O
Compound: Trichormamide D
SMILES: O=C/1N2[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](CC3=CC=CC=C3)C(N[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N\C1=C\C)=O)CCC(=O)N)=O)CCCCCCC)=O)=O)CC(C)C)=O)C(C)C)CC(C)C)CC4=CC=C(O)C=C4)CO)CCC2
Compound: Nigrosporapyrone
SMILES: O=C1OC(=CC(=C1)OC)[C@@H](O)C
Compound: 4,4'-Oxybis(alpha,alpha,6-trimethyl-2,3-dihydrobenzofuran-2beta-methanol)
SMILES: O1C2=C(C(OC3=C4C(O[C@H](C4)C(O)(C)C)=CC(=C3)C)=CC(=C2)C)C[C@@H]1C(O)(C)C
Compound: Hypsiziprenol-AA8
SMILES: OC(C=C)(CC/C=C(/CCC(O)C(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)\C)C
Compound: Cycloviracin B1
SMILES: O=C1OCC2OC(OC(CC(=O)OCC3OC(OC(C1)CCCCCCCCCCCCCC(OC4OC(C(O)C(C4OC)O)CO)CCCCCC(O)C)C(O)C(O)C3O)CCCCCCCCCCCCCCCC(OC5OC(C(O)C(C5OC)O)CO)CCCCCC(OC6OC(C(O)C(C6OC)O)CO)C)C(O)C(C2O)O
Compound: Hydroxymycotrienin B
SMILES: O=C1NC=2C(O)=C(C(=O)C(C2)=O)CCC=C(C(OC(=O)C(NC(=O)C3CCCCC3)C)C(C)C(CC=CC=CC=CC(C1)OC)O)C
Compound: APHE-4
SMILES: O=C1N2NC=C(C2=CC3=C1C=CC=C3)CCCC
Compound: 2,4-Dihydro-4-(beta-D-ribofuranosyl)-1,2,4(3H)-triazol-3-one
SMILES: O=C1N(C=NN1)[C@@H]2O[C@H](CO)[C@H]([C@H]2O)O
Compound: Dihydrosetoclavine
SMILES: O[C@@]1(CN([C@@H]2CC3=CNC=4C3=C([C@H]2C1)C=CC4)C)C
Compound: Sulfimarin
SMILES: [S@@](=O)(C1=C2OC(=O)C=CC2=CC=C1)C
Compound: MS-282a
SMILES: O=C1OC(C(C2OC(C(C(=O)OC(CC3OC(C1C)CC3)CCC)C)CC2)C)C(C4OC(CC(N(C)C)CCCCC)CC4)C
Compound: Disorazole I
SMILES: O=C1OC(C(C(=O)CCC)(C)C)CC=CC=CC=CC(OC)CC=2OC=C(N2)C(=O)OC(CC=CC3C(C=CC=CC4=NC1=CO4)O3)C(C(O)/C=C/C)(C)C
Compound: Isoravenelone
SMILES: O=C1O/C(=C/C2=CC=CC=C2)/C(=C1[C@@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)C(=O)OC)O
Compound: Xylanthraquinone
SMILES: O=C1C2=C(O)C=C(OC)C(=C2C(O)C3C1C[C@@H](O)[C@](C3)(O)C)O
Compound: FR900452
SMILES: S(C[C@@H]1N/C(=C/2\C(=O)C=CC2)/[C@H]([C@H]([C@@H]3C(=O)N(C)C4=C3C=CC=C4)C)NC1=O)C
Compound: AAL-Toxin
SMILES: O=C(O)C(CC(=O)OC(C(O)CC(CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)C)C(CC)C)CC(=O)O
Compound: Fradimycin B
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C(O)C4=C3C(=O)C(O)C(O)(C)C4)[C@@H]5O[C@@H]([C@@H](OC(=O)/C=C/C=C/C=C/[C@@H]6O[C@](C(=O)O)(C)O[C@H]6C)CC5)C
Compound: Cephalimysin D
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13OC(C=4OC(CC)=CC4)=C(C3=O)C)O
Compound: Stachybogrisephenone B
SMILES: ClC1=C(O)C(=C(O)C=C1OC)C(=O)C2=C(O)C=C(OC)C=C2C
Compound: N99-596 A
SMILES: O=C1C(C2=CC(OC3OC(C(O)C(C3O)O)C)=C(O)C=C2)=COC4=C1C=CC(=C4)O
Compound: Gymnopilin A-9
SMILES: O=C(OC[C@@H](O)C(O)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)\C)\C)C)CC(O)(CC(=O)O)C
Compound: Rickenyl D
SMILES: O(C1=C(O)C(=C(O)C(=C1C2=CC=C(OC)C=C2)OC)C3=CC=C(O)C=C3)C
Compound: Csypyrone B3
SMILES: O=C1OC(=CC(=C1C(=O)C)O)CCCCC(=O)O
Compound: Penipacid E
SMILES: O=C(O)C1=C(NC=NC=2OC=CC2)C=CC=C1
Compound: Pyrenulafuran
SMILES: O=CC1=C(O)C=CC2=C1C=C(/C=C/CCC)O2
Compound: Trichodermadienediol A
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)C24OC4)C)C)/C=C\C=C\[C@H](O)[C@@H](O)C
Compound: 5-dihydro-4-formyl-6-hydroxy-2-hydroxymethyl-6-methyl-2H-pyran
SMILES: O=CC1=CC(OC(C1)(O)C)CO
Compound: 12-dimethoxypinselin
SMILES: O=C1C2=C(C(O)=CC=C2OC3=C1C(O)=CC(=C3)C(OC)OC)C(=O)OC
Compound: Verrucarin L
SMILES: O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)[C@H](C3)O)C[C@H]4OC(=O)C=CC=CC(OCCC(=C1)C)=O)C
Compound: Gladiolic acid
SMILES: O=C1OCC=2C1=C(OC)C(=CC2C=O)C
Compound: Talaroenamine C
SMILES: O=C1C(=NCC2=C(C=CC=C2)CO)C(=CC([C@]1(O)C)=O)C
Compound: PsiAbeta
SMILES: O=C1O[C@@H](CCC1)CC[C@@H](O)/C=C\CCCCCCCC
Compound: Sumalarin B
SMILES: S([C@@H]1CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O[C@H](CCC1)C)C[C@@H](OC(=O)C)C(=O)OCCOC(=O)C
Compound: (3S,4R)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane
SMILES: O=C(C1=CC2=C(OC(C)(C)[C@H]([C@@H]2O)O)C=C1)C
Compound: Napyradiomycin 1
SMILES: Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CCC=C(C4)CO)C)OC1(C)C)=O
Compound: 17-Formyl-17-demethoxy18-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](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: NP25302
SMILES: O=C1C=C(NC(=O)C=C(C)C)N2[C@]1(CC[C@@H]2C)C
Compound: Serratamolide E
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)OC(CC(N[C@H]1CO)=O)CCCCC)CO)CCCCCCC
Compound: Ammonificin A
SMILES: BrC1=C(O)C=CC(=C1)[C@H]2C3=C(OC[C@H]2OC4=CC(O)=CC=C4)C(=CC=C3O)[C@@H](O)CN
Compound: Oblongolide Y
SMILES: O=C([C@@]1(OC[C@H]2[C@@]1([C@H]3[C@H](C=C2)C[C@H](C)CC3)C)OC)C
Compound: Panepoxydon
SMILES: O=C1C(=C[C@@H](O)[C@H]2[C@@H]1O2)[C@H](O)C=C(C)C
Compound: (3S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)butan-2-one
SMILES: O=C([C@H](C1=C(C(O)=C(C)C(=C1)O)C)C)C
Compound: (+)-chizhine B
SMILES: O=C1O[C@@H](C=C(C)C)C[C@H]1CC(=O)C2=C(O)C=CC(=C2)O
Compound: 1-methyl-1,4-dihydroquinoline
SMILES: N1(C2=C(C=CC=C2)CC=C1)C
Compound: Frenolicin C
SMILES: S([C@@]12C(=O)C3=C(C(O)=CC=C3)C([C@@]1(O)[C@H](O[C@@H](C2)CC(=O)O)CCC)=O)C[C@H](NC(=O)C)C(=O)O
Compound: Sorbiterrin A
SMILES: O=C1C=C([C@@H]2C(=O)C3=C([C@@]1(C(=O)O)[C@H]2C=CC)C(=C(O)C(=C3O)C)C)C
Compound: Monocillin IV
SMILES: O=C1O[C@@H](CC=CCCCCC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: 1,8-dihydroxynaphthol-1-O-alpha-rhamnopyranoside
SMILES: O1[C@@H](OC=2C3=C(O)C=CC=C3C=CC2)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: 4,8-dihydroxy-7-(2-hydroxy-ethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@@H](O)CC1)CCO
Compound: methyl-balhimycin
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C=5OC6=C(Cl)C=C([C@@H](O[C@@H]7O[C@H](C(=O)[C@](C7)(N)C)C)[C@H]8C(=O)N[C@@H](C(=O)O)C=9C(C=%10C=C([C@@H](NC([C@@H](C(=C3)C5)NC(=O)C(NC([C@@H]([C@@H](C(=C1)C=C2)O)NC(=O)[C@H](N(C)C)CC(C)C)=O)CC(=O)N)=O)C(=O)N8)C=CC%10O)=C(O)C=C(O)C9)C=C6
Compound: Anguibactin
SMILES: S1C(=NC(=C1)C(=O)N(O)CCC=2NC=NC2)C3=C(O)C(O)=CC=C3
Compound: Berkeleyacetal C
SMILES: O=C1C=C2C(=CC(=O)OC2(C)C)[C@@]3([C@H]4[C@]1([C@@H]5C(=O)[C@@H](O[C@H]6[C@@H]5[C@@](C(=O)O6)(C)C4)C)C)OC3
Compound: Phomapyrrolidone C
SMILES: O=C1[C@@]23O[C@@H]2C(O)(CC4=CC=C(O[C@@H]5[C@H]6[C@@H]1[C@@]7(C(=C(C)[C@H]6[C@H]8C[C@@H](C)C[C@H]([C@H]58)C)[C@@H](C)C(=C7)C)C)C=C4)NC3=O
Compound: Guanacastepene I
SMILES: O=C1C2=C3O[C@H](O)C4=C3[C@](CC[C@@H]4O)(C)CC[C@]2(C)[C@H]([C@H]1OC)C(C)C
Compound: Pestalafuranone A
SMILES: O=C1OCC(=C1/C=C/C)CCC(=O)C
Compound: Reveromycin J
SMILES: O=C(O[C@]1([C@@H](O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)/C=C/C(=C/C(=O)O)/C)CCCCCC)/C=C/C(=O)O
Compound: Ambiguine N isonitrile
SMILES: O[C@]12C=3C4=C5C=CC=C4NC3C(C)(C)[C@@H](C[C@]1([N+]#[C-])[C@@](C=C)(CC[C@@H]2C5(C)C)C)O
Compound: (2'E,4'E,6'E)-6-(1'-carboxyocta-2',4',6'-triene)-11,12-epoxy-9-hydroxy-11-methoxy-drim-7-ene
SMILES: O=C(O[C@@H]1C=C2[C@](O)(C(OC)OC2)[C@@]3([C@@H]1C(CCC3)(C)C)C)/C=C/C=C/C=C/C
Compound: Gloeophyllin E
SMILES: O=C1[C@@H]2C(=C[C@@H](OC(=O)C)[C@]3([C@H]2CC[C@@H]3[C@@H](CCC(=C)C(C)C)C)C)[C@]4(CC[C@@H]([C@]([C@@H]4C1)(C(=O)O)C)O)C
Compound: Tirandamycin K
SMILES: O=C1NCC(C1=C(O)/C=C/C(=C/[C@H]([C@@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@H](C(=O)C)C)C)C)/C)=O
Compound: Neofipiperzine C
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3CC(O)(C)C)CC=C(C)C)CCC2
Compound: Maculalactone I
SMILES: O=C1O[C@]23[C@H](C4=CC=CC=C4)C[C@H]([C@@]([C@]3([C@]1(O)CC5=CC=CC=C5)O[C@H]2C6=CC=CC=C6)(O)C7=CC=CC=C7)O
Compound: Clavatustide B
SMILES: O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)C)CC4=CC=CC=C4
Compound: 14-hydroxyterezine D
SMILES: O=C1N(O)[C@H](C(=O)N[C@H]1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2
Compound: Ramalinic acid A
SMILES: O=C(O)C1=C(O)C(OC2=C(C(=CC(=C2)OC)CCC)C(=O)O)=C(OC)C=C1CCC
Compound: Aspiketolactonol
SMILES: O=C1O[C@@H]([C@@H](O)C)C=C1CC(=O)C
Compound: Penicimarin A
SMILES: O=C1OC[C@H]([C@@H](O)C)C=2C1=C(O)C=C(O)C2
Compound: Argyrin E
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(NC(C(N(CC(NC2)=O)C)=O)=C)=O)C)CC=3C4=C(OC)C=CC=C4NC3)CC=5C6=C(C=CC=C6)NC5
Compound: Melithiazol L
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C2N=C(C(COC)C)SC2
Compound: Pestalotiopen A
SMILES: Cl[C@@H]1C([C@]23O[C@H]2C[C@]([C@@H]([C@@]3(C)CC1)C(=O)O)(OCC4=C(O)C(=C5[C@@H](OC)OC(C5=C4OC)=O)C=O)C)(C)C
Compound: 4RS,7RS,11RS,2H-3,4,4a,5a,7,8-hexahydro-4-hydroxy-pyrano[2,3-b]cyclopenta[d]pyran-9(6H)-one
SMILES: O=C1C2=C(CO[C@@H]3[C@H]2[C@H](O)CCO3)CC1
Compound: EI-2346
SMILES: O=C1C2=C(O)C3=C(CC(O)(C)OC3CCC)C=C2C(=O)C=C1C4OC(C(O)CO4)CO
Compound: Pestalotiopyrone L
SMILES: O=C1OC(=CC(=C1)OC)[C@](O)(CC(O)C(=O)OC)CCCC
Compound: Aszonapyrone B
SMILES: O=C1OC(=CC(=C1C[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C
Compound: Seco-milbemycin B
SMILES: O=C1OC/C(=C/C=C/[C@@H](C/C(=C/C[C@H]2O[C@](O[C@@H]([C@H](CCC)C)CC)(C[C@H](C2)O)C)/C)C)/C3=C1C=C(C)C(=C3)O
Compound: Saccharolidin A
SMILES: O=C1OC(C(OC)C=CC=C(CC2C(C(C=C(C=C1)C)(OCOC2CCCCC)C)O)C)C(C(O)C(C(=O)/C=C/C(C(O)C)C)C)C
Compound: methyl 4-[(E)-2-acetyl-4-oxoundec-1-enyl]-6-propylnicotinate
SMILES: O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCCCC
Compound: Inonotin K
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: 5,6-dihydroxyindole-2-carboxylic acid
SMILES: OC(=O)C1=CC2=CC(O)=C(O)C=C2N1
Compound: 3-hexenal
SMILES: CCC=CCC=O
Compound: Hibarimicin B
SMILES: O=C1C(OC)=C(C(=O)C=2C1=C(O)C3=C(C(=O)C4(O)C5C3OC4(C(O[C@@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@](O)(C(=O)C)CC7)C)CC6)C)C(C5OC8O[C@H]([C@H](O)[C@@H](C8)O)C)O)CCC)C2O)C=9C(OC)=C(OC)C%10=CC=%11CC%12C(O[C@@H]%13O[C@H]([C@H](O)[C@@H](C%13)O)C)C(O)C(C(C%12(C(C%11C(=C%10C9O)O)=O)O)(O)CCC)O[C@@H]%14O[C@@H]([C@@H](O[C@H]%15O[C@@H]([C@@](O)(C(=O)C)CC%15)C)CC%14)C
Compound: Ribisin B
SMILES: O=C1C=2C3=C(C=CC=C3)OC2[C@H](O)[C@@H]([C@@H]1OC)OC
Compound: WIN 64821
SMILES: O=C1N2[C@H]3NC=4C=CC=CC4C3([C@@]56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@H](CC9=CC=CC=C9)NC([C@@H]8C6)=O)C[C@H]2C(=O)N[C@H]1CC%10=CC=CC=C%10
Compound: Oligoporin A
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC/C=C(\C(=O)O)/C)C)CC4)(C)[C@@H](C3)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)C)=CC2)(C)CC1)(C)C
Compound: Occidiofungin B
SMILES: O=C1N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(O)C(=O)N)C(NCC(CC(CC(N[C@H](C(N[C@H]1C(O)C2=CC=C(O)C=C2)=O)CC=3C4=C(C=CC=C4)NC3)=O)OC5OC[C@@H](O)[C@@H]([C@H]5O)O)OCCCC)=O)CO)CC(=O)N)CCCCN
Compound: Rhizopogone
SMILES: O=C1C(O)=C2C(=O)C(=C1[C@H](C=C(C)C)CC(=CCCC(C)=CCCC(=CC2)C)C)O
Compound: Boletinin G
SMILES: O=C(OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C=O)\C)\C)\C)\C)/C=C/C(=O)O
Compound: Phomasetin
SMILES: O=C/1N([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)=O)C
Compound: L-733686
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)[C@@H](O)C4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)CC2
Compound: Ampelanol
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H]3[C@@H]1[C@H](O)[C@@H](O)[C@](O)(C)[C@@H]3O
Compound: Pyrenocine D
SMILES: O=C1OC(=C(/C(/C=O)=C\C)C(=C1)OC)C
Compound: TMC-169
SMILES: O=C1C=CC(O)CCCC(=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](C)C(=C2)C)CC(C)C)C
Compound: Tetroazolemycin B
SMILES: S1SC[C@H]2N(C[C@@H]3N([C@@H]([C@H]4N=C(C5=C(O)C=CC=C5)OC4)SC3)C)C([C@@H](C1)N(C[C@@H]6N([C@H]([C@H]7N=C(C8=C(O)C=CC=C8)OC7)SC6)C)C2=O)=O
Compound: Penicilazaphilone A
SMILES: O=C1C=C2C=C(OC[C@@H]2[C@H]([C@]1(O)C)O)/C=C/C3(OC(C)(C)OC3[C@H](CC)C)C
Compound: Gymnastatin C
SMILES: Cl[C@@H]1C(=O)[C@H](Cl)[C@@H](O)C2([C@@H]1O)OC(OC)[C@H](C2)NC(=O)/C=C/C(=C/C(CCCCCC)C)/C
Compound: 10-Phenyl-[11]-cytochalasan B
SMILES: O=C1[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@@H](C[C@@](CC1)(O)C)C)O)=C)CC4=CC=CC=C4
Compound: Erinacine S
SMILES: O=C1C(O)=C2[C@@H]3[C@@H]([C@@]4(CC[C@@]5(C([C@H]4CC2)=C(C(C)C)CC5)C)C)O[C@H]6[C@@]3([C@]1(O)CO6)O
Compound: (-)-xylariamide A
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H](NC(=O)/C=C/C(=O)OC)C(=O)O
Compound: Chaetorcinol
SMILES: O=C(O)/C(=C\C)/CCCCCCCCC\C=C/C=C/CC1=CC(O)=CC(=C1)O
Compound: C-1027 chromophore II
SMILES: ClC1=C2OC3C#CC=C(C(OC(=O)C4=C5NC(=O)C(C)OC5=CC(=C4)OC)COC(CC(C(=C1)C=C2O)N)=O)C#CC=6C3(O[C@@H]7OC([C@@H](N(C)C)C(C7O)O)(C)C)C=CC6
Compound: Nigerasperone C
SMILES: O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5O[C@](O)(CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C
Compound: Nodulisporin B
SMILES: O(C=1C2=C(O)C(C3=C(O)C4=C(OC)C=CC=C4C=C3)=CC=C2C=CC1)C
Compound: Caeurolomycin A
SMILES: O(C1=CC(=NC(=C1)C=NO)C2=NC=CC=C2)C
Compound: Militarinone E
SMILES: O=C1N(O)C=C(C2=CC[C@@H](O)CC2)C(=C1C(=O)/C=C/C=C/C(=C/C(CC(CC)C)C)/C)O
Compound: Benastatin B
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C(=C(CCCCC)C=C4CC3)C(=O)O)C=C2C(C)(C)C=5C1=C(O)C=C(O)C5
Compound: [(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-propyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
SMILES: O=C(OC1C(O)C(OC(C1O)CO)OCC2OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(O)C(C2O)O)CCCCCCCCCCCCCCC
Compound: Phomafungin
SMILES: O=C1NC(C(=O)CCOCC(C(CCCCCCCCCCCC)C)CC(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(NCC(CCN[C@H](C(N[C@@H](C(N[C@@H]1[C@@H](O)C)=O)CC(=O)N)=O)CO)=O)=O)CCC(=O)O)CCO)C)CCO
Compound: (+)-ethyl homononactate
SMILES: O=C(OCC)[C@H]([C@H]1O[C@@H](C[C@H](O)CC)CC1)C
Compound: Fradic acid B
SMILES: O=C(O)[C@@]1(O[C@@H](/C=C/C=C/C=C/C(=O)C)[C@@H](O1)C)C
Compound: Farinosone B
SMILES: O=C1N(O)C=C(C2=CC=C(O)C=C2)C(=C1C(=O)/C=C/C=C/C=C/C(=C/[C@H](CC)C)/C)O
Compound: Pinicoloform
SMILES: ClC(Cl)(Cl)C(=O)C=C(O)\C=C/C=C/CCC
Compound: 2S,4S-spinosate
SMILES: O=C(OC)[C@@H](OC)C[C@H](OC)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Griseusin G
SMILES: O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](CC([C@@H]5O)=O)C)CC(=O)C
Compound: Radarin A
SMILES: O=C1[C@@H]([C@@]2([C@H]([C@]3([C@@H]([C@]([C@H](C)CC3)(CC=4C5=C(C=C(O)C=C5)NC4)C)CC2)C)CC1)C)C
Compound: Bromoroquefortine C
SMILES: BrC1=CC2=C(NC3[C@@]2(C(C=C)(C)C)C[C@H]4C(=O)N\C(\C(N34)=O)=C\C=5NC=NC5)C=C1
Compound: Radianspene B
SMILES: O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@H]([C@H]3OC(=O)C)O)(C)CC[C@]2(C)CC1)CO
Compound: Spiromastixone B
SMILES: ClC1=C(O)C=C2OC=3C(=CC(=CC3OC(C2=C1CCC)=O)O)CCC
Compound: Micropeptin HH960
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3CC=CN([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)C)=O)CC(C)C)C3=O)CC(C)C)C
Compound: Ustilaginoidin O
SMILES: O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O
Compound: N6-Formyl-roquefortin C
SMILES: O=C/1N2C3N(C=4C=CC=CC4C3(C(C=C)(C)C)CC2C(=O)N\C1=C/C=5NC=NC5)C=O
Compound: Aspochalasin J
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@@H](C=C1)O)C)C)CC(C)C
Compound: Gabosine L
SMILES: O=C1C(O)=C(C[C@H]([C@H]1O)O)C
Compound: Maduramycin
SMILES: O=C(O)C[C@]1(O[C@H]([C@H](OC)[C@H]([C@@H]1C)OC)[C@@H]([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]5O[C@@H]7O[C@H]([C@H](OC)CC7)C)(C)CC4)(C)CC3)C[C@@H]([C@H]2C)O)C)O
Compound: Flaviphenalenone C
SMILES: O=C1OC2=C(O)C(OC)=C(OC)C=3C2=C(C1=O)C(O)=C(CC=C(C)C)C3C
Compound: Ambiguine Q nitrile
SMILES: N#CC1=CC2=C3[C@@H](C(C)(C)C=4C=5C3=C(C1(C)C)NC5C=CC4)CC[C@@]2(C=C)C
Compound: (1'Z)-dechloromycorrhizin A
SMILES: O=C1C(=CC(=O)[C@@]23[C@@]1(OC(C)(C)[C@@H]2C3)O)/C=C\C
Compound: [(1S,14S)-5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
SMILES: O=C1N(C(=O)C2=CC=3[C@H](N2C1=O)[C@@H](OC(=O)C4=CC(OC5=C(OC)C=CC(=C5)C=O)=C(OC)C=C4)C=COC3)C
Compound: Erythro-11alpha-hydroxyneocyclocitrinol
SMILES: O=C1C=C2[C@H]([C@H](O)C[C@]3([C@H]2CC[C@@H]3/C(=C/C(O)C(O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Cylindrocyclophane C1
SMILES: ClCCCC[C@@H]1C2=C(O)C=C(C[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: Monocycloalternarene C
SMILES: O=C1C(=C(O)[C@@H](O)C[C@H]1OC)C/C=C(/CC/C=C(/CCCC(C(=O)O)C)\C)\C
Compound: 3-(2'-acetoxy-3'-oxo-4'-methylpentyl)-indole
SMILES: O=C([C@@H](OC(=O)C)CC=1C2=C(C=CC=C2)NC1)C(C)C
Compound: Jadomycin F
SMILES: O=C1C=2N3[C@@H](OC([C@@H]3CC4=CC=CC=C4)=O)C=5C=C(C)C=C(C5C2C(=O)C=6C1=C(O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O)C)C=CC6)O
Compound: Inonotusin B
SMILES: O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)[C@@H](O2)CC(=O)C)/C=C/C4=CC(O)=C(O)C=C4
Compound: Epothilone C9
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)C(CCCC=CC2)C)C)(C)C)\CO)C
Compound: De-3936
SMILES: O=C(O)[C@@H]([C@@]1(O[C@@H]([C@H](C)[C@@H]([C@H]1C)OC)[C@@H]([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@H]([C@@H]6C)OC)C)[C@@H]([C@@H]5C)OC)(C)CC4)(C)CC3)C[C@@H]([C@H]2C)OC)C)O)C
Compound: 2,3,4a,6,7,8-hexaahydro-pyrano[2,3-b]cyclopenta[d]pyran-9-one
SMILES: O=C1C=2C3=CCCO[C@H]3OCC2CC1
Compound: 4,6-Diformyl-8-hydroxy-3-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2C)O)C=O)OC3=C1C(=CC(=C3C=O)OC)C
Compound: 13-hydroxy-tricho-2(12),9(10)-diene-3-one
SMILES: O=C1C=C(CO)[C@](C1)([C@@]2(CC=C(C)CC2)C)C
Compound: 4,5,6-Tri-O-acetyl hygrophorone B14
SMILES: O=C1C=C[C@@H]([C@@]1(OC(=O)C)C(OC(=O)C)CCCCCCCCCCCCCC)OC(=O)C
Compound: (2R)-5-hydroxy-2-methyl-2,3-dihydrochromen-4-one
SMILES: O=C1C2=C(O[C@@H](C1)C)C=CC=C2O
Compound: Inoscavin A
SMILES: O=C1OC(=CC2=C1C3(OC(C)=CC3=O)C(C4=CC(O)=C(O)C=C4)O2)/C=C/C5=CC(O)=C(O)C=C5
Compound: Radicicol C
SMILES: ClC1=C(O)C=C(O)C2=C1CC(=O)CC(O)C(O)C=CC(C[C@H](OC2=O)C)O
Compound: 19,20-Epoxycytochalasin R
SMILES: O=C1[C@](O)([C@@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]5([C@H](C4C6[C@H](C[C@@H]1C)O6)O5)C)CC7=CC=CC=C7)C
Compound: Boseongazepine A
SMILES: O=C1N2C=C(C(=O)C)C[C@H]2CNC3=C1C=CC=C3OC
Compound: Brasilane B
SMILES: OCC(=C1[C@@H]2[C@@H]([C@@H](CO)CC2)CC(C1)(C)C)C
Compound: Dendroamide C
SMILES: S(=O)(CC[C@H]1NC(=O)C=2N=C([C@H](NC(=O)C=3N=C([C@H](NC(C=4N=C1SC4)=O)C)OC3C)C)SC2)C
Compound: Tricladin B
SMILES: O=C1N([C@@](CC)(C)N=C1C)CCC=2C3=C(C=CC=C3)NC2
Compound: Oblongolide W2
SMILES: O=C1OC[C@@H]2C=C[C@H]3[C@H]([C@@]2([C@]1(O)CO)C)CC[C@H](C3)C
Compound: (3S)-8-(beta-D-glucopyranosyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-hydroxy-5-methyl-1H-2-benzopyran-1-one
SMILES: O=C1O[C@H](/C=C/C=C/C=C/C)CC=2C1=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C=C(O)C2C
Compound: Pullularin D
SMILES: O=C1O[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H](C(N([C@H]1C)C)=O)CC3=CC=C(OCC=C(C)C)C=C3)=O)[C@H](CC)C)C)C)CCC2)CC4=CC=CC=C4
Compound: Sch 419560
SMILES: O=C1OC(=CC(=C1CCCCCC)O)CCCCCCC
Compound: DKxanthene 504
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
Compound: Haplofungin E
SMILES: O=C(OC(C(O)C(O)C(=O)O)CO)C(C(=O)/C(=C/C(CC(CCCCC(O)CCCCCCCCCCCCC)C)C)/C)C
Compound: Staphylopeptide A
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1C(CC)C)=O)CC(=O)N)CC(C)C)CC(=O)N
Compound: SNF-4794-9
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCCCCCCCCCC(O)C(O)CCCCCCCC
Compound: Aspilactonol C
SMILES: O=C1O[C@@H]([C@@H](O)C)C=C1[C@@H](O)[C@@H](O)C
Compound: Armillarikin
SMILES: ClC1=C(OC)C=C(O)C(=C1C)C(=O)O[C@H]2[C@@]3(O)C(=C[C@@H]4CC([C@@H]([C@@H]4[C@@]3(C)C2)O)(C)C)C=O
Compound: 1-(1,4,5-trihydroxy-3-isocyanocyclopenten-2-enyl)-ethanol
SMILES: OC1(C=C([N+]#[C-])C(C1O)O)C(O)C
Compound: Spiroxin E
SMILES: ClC1=C(O)C2=C3[C@]4(O[C@@]5(OC3=C1)C=6C(=C(O)C(=CC46)Cl)C(=O)[C@@H]7[C@H]5O7)[C@H]8[C@@H](C2O)O8
Compound: Ganodernic acid D
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: 3-(3'-hydroxydecanoyloxy)hexadecenoic acid
SMILES: O=C(OC(CC(=O)O)CCCCCCCCCCCCC)CC(O)CCCCCCC
Compound: (2S,3R)-2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-3-hydroxybutanoic acid
SMILES: O=C1N([C@H](C(=O)O)[C@H](O)C)CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3
Compound: Plicatilisin A
SMILES: O=C1OC2=C3[C@@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(CC[C@]4(C2=C1[C@@H](O)CC4)C)C
Compound: 2,2'-dimethyl-11,11′-O-dimethylelaiophylin
SMILES: O=C1O[C@@H]([C@H](C=CC=C(C(=O)O[C@@H]([C@H](C=CC=C1C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C)OC)C)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]4(O[C@@H]([C@@H](CC)[C@@H](C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C)C)OC)C)C
Compound: Cytospolide N
SMILES: O=C1O[C@@H]([C@H]2O[C@@H]([C@@H]([C@H]([C@H]1C)O)O)CC2)CCCCCOC(=O)C
Compound: Anabaenopeptin B
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)CCCN=C(N)N)CC3=CC=CC=C3)C)C
Compound: Chaetophenol B
SMILES: O1C(=CC=2C(=C(O)C(=C(C2C1)O)C)CC=C(C)C)C
Compound: Bagremycin B
SMILES: O=C(OC1=CC=C(C=C)C=C1)C2=CC(NC(=O)C)=C(O)C=C2
Compound: Cycloepoxytriol A
SMILES: O1[C@@H]([C@H](O)C=2[C@H](O)[C@@H]3C([C@@H](C2C1)O)O3)CCC
Compound: Ganodermalactone G
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@@]56[C@@H]([C@H](C)[C@@]7(O[C@H]6O[C@H](C3C=C2C=C1)C5)OC(=O)C(C)=CC7)CC4)C)(C)C
Compound: (-)-(2R,3S,6S,7S,9R)-tremul-1(10)-ene-11,12,14-triol
SMILES: OC[C@]1(C=C2[C@@H]([C@H](CC[C@@H]([C@@H]2C1)C)CO)CO)C
Compound: 1-methoxy-5R,10S-agroclavine
SMILES: O(N1C2=C3C(=CC=C2)[C@@H]4C=C(C)CN([C@@H]4CC3=C1)C)C
Compound: Epothilone C6
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)C(CC=CC=CC2)C)C)(C)C)\C)C
Compound: 8beta-hydroxy-18-norcleistanth-4(5),13(17),15-trien-3-one
SMILES: O=C1C(=C2[C@]([C@@H]3[C@](O)([C@@H](C(=C)CC3)C=C)CC2)(C)CC1)C
Compound: Dermocanarin 9
SMILES: O=C1OC2=C(C=3C(=O)C=4C(OC)=CC(=CC4C(C3C[C@](C1)(O)C)=O)OC)C(OC)=CC=5C2=C(O)C=6C(=O)C[C@@](O)(C)CC6C5
Compound: Glaucopine C
SMILES: O=C1C=C(C(C)C)[C@@H]2[C@]1(CC[C@@]3(C2=CC=C(C=O)C[C@@H]3O)C)C
Compound: N-Tetradecadienoyl-L-homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)/C=C\CCC/C=C\CCCCCC
Compound: Pyrrolostatin
SMILES: O=C(O)C=1NC=C(C1)C/C=C(/CCC=C(C)C)\C
Compound: (Z)-4-hydroxy-4-methyl-2-(1-hexenyl)-2-butenolide
SMILES: O=C1O[C@@](O)(C)C=C1/C=C\CCCC
Compound: Siphonazole B
SMILES: O=C(NC/C=C/C=C)C=1N=C(CC(=O)C=2N=C(/C=C/C3=CC(OC)=C(OC)C=C3)OC2C)OC1C
Compound: M-4365 G3
SMILES: O=C1C=CC(=CC(C(OC(=O)CC(C(C(C(CC1C)CCO)OC2OC(CC(C2O)N(C)C)C)C)O)CC)C)C
Compound: Purpurquinone D
SMILES: O=C1C=C2C=C(OC[C@]2(O)C([C@@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)=O)C=CC(=O)O
Compound: Multiforisin B
SMILES: O=C1OC(=C(C=O)C(=C1COC(=O)C)OC)/C=C/C
Compound: Michiganin A
SMILES: S1C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1)NC(=O)[C@@H](NC(=O)/C(/NC(=O)[C@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC([C@@H](NC([C@H](CSC3)NC(=O)[C@@H](N)CO)=O)CO)=O)CC=4C5=C(C=CC=C5)NC4)CC(C)C)=C/C)CC(C)C)=O)[C@H](CC)C)=O)CCC(=O)O)=O)CS)=O)CCSC[C@H](NC([C@@H](NC2=O)C)=O)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)[C@H](CC)C)[C@H](CC)C
Compound: Sargabetaopenilline B
SMILES: O=C(OC1C2=C(C(O)=C(C)C(=C2)O)CO[C@@]13O[C@H](CC[C@@H]3OC(=O)C)C)C
Compound: Penicillone
SMILES: S[C@H](CC(=O)C=1OC(=O)C=C(C1C)OC)C
Compound: Leualacin
SMILES: O=C1O[C@H](C(=O)N([C@H](C(=O)NCCC(O[C@@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC2=CC=CC=C2)C)CC(C)C
Compound: (3Z,5E,9S,11E,13E,15S)-16-[(E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-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=C(/C2(OC([C@H](C)C(C2)OC)CC)OC)\C)C
Compound: methyl phomopsenonate
SMILES: O=C1C(=C2[C@]3([C@@H](C(=O)OC)CC2)C[C@@]4([C@H]([C@@H]3C1)C(CC4)(C)C)C)C
Compound: Cinnabaramide F
SMILES: S(C(=O)[C@@]1(NC(=O)[C@@H]([C@@]1(O)C)CCCCCC)[C@@H](O)[C@@H]2C=CCCC2)C[C@H](NC(=O)C)C(=O)O