MonarchInit/C3PO huggingface dataset:
Compound: 6-hydroxy-8-quinoline carboxylic acid
SMILES: O=C(O)C=1C2=NC=CC=C2C=C(C1)O
Compound: Naphthomycin N
SMILES: S(C1=C2NC(=O)C(=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=3C(C1=O)=C(C2=O)C=C(C)C3O)=O)C)C)O)C)O)C)C)CCNC4=C5NC(=O)C(=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=6C(C4=O)=C(C5=O)C=C(C)C6O)=O)C)C)O)C)O)C)C
Compound: Coniothienol A
SMILES: S1C=2OC3=C(C(O)=CC(=C3)C)C(C2[C@]([C@H]1CCO)(O)C(=O)OC)=O
Compound: Asperterone
SMILES: O=C1OC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)CC=C(C)C
Compound: Wewakpeptin B
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@@H](C(C)C)C(N2[C@H](C(N3[C@H](C(N[C@H](C(O[C@@H](C1(C)C)CCCCC)=O)C(C)C)=O)CCC3)=O)CCC2)=O)C(C)C)C)C(C)C)C)C)C)[C@H](CC)C
Compound: 2-(2,4-dihydroxy-6-methylbenzoyl)-glycerol
SMILES: O=C(OC(CO)CO)C1=C(O)C=C(O)C=C1C
Compound: Elfvingic acid E
SMILES: O=C1C=C2[C@@]3(C([C@@]([C@@H](O)CC3)(CO)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1(C(=C[C@H]5O)C(O)(CC(=O)CC(C(=O)O)C)C)C)C)C
Compound: 15G256omega
SMILES: O=C1O[C@@H](CC(=O)O[C@@H](CC2=C(C(=O)O[C@@H](CC(=O)O[C@@H](CC=3C(C(O[C@@H](CC(O[C@@H](CC=4C1=C(O)C=C(O)C4)C)=O)C)=O)=C(O)C=C(O)C3)C)C)C(O)=CC(=C2)O)C)C
Compound: 12'-O-acetylisariotin A
SMILES: O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCCCCOC(=O)C)O
Compound: (2R,5S,7S)-3alpha-hydroxyexogonic acid
SMILES: O=C(O)C[C@H]1O[C@]2(O[C@@H](C)CC2)C[C@H]1O
Compound: Ganoderlactone C
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@]5(OC(=O)CC5)C)C
Compound: 6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester
SMILES: Br/C(=C/CCCC(=O)O)/CCCCC#CC#C/C=C\C#C
Compound: alpha-Dehydrobiotin
SMILES: S1[C@H]([C@H]2NC(=O)N[C@H]2C1)CCC=CC(=O)O
Compound: Cladobotric acid F
SMILES: O=C(OC)C1=CC[C@H]2[C@H](/C=C/C=C/C=C/C(=O)OC)[C@](O)([C@]3(O[C@@H]3[C@@H](CC)C)C)C(=C[C@@H]2C1)C
Compound: Rubasperone E
SMILES: O=C1C2=C(O)C3=C(OC)C=C(OC)C(=C3C=C2OC(=C1)C)C4=C5OC(O)(CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C
Compound: Biverlactone A
SMILES: O=C1O[C@H](/C(=C/C(CCCCCC)C)/C)[C@@H](O)C=C1/C=C/C(=O)O
Compound: Tolyporphin K
SMILES: O1C(C2(C(O)=C3C=C4N=C(C=C5C(C)=CC(C=C6N=C(C=C2N3)C=C6C)=N5)C(=C4)C)C)C(O)CC(C1C)O
Compound: Thalabetaospiramide B
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[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=CC=C2)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C
Compound: 2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
SMILES: O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(O)CCCCCC(O)C(O)CNC(=O)C)C)C(CCCC)C)CC(=O)O
Compound: Spiromentin B
SMILES: O=C1C(=O)C(C2=CC=C(O)C=C2)=C3OC4(OC3=C1C5=CC=C(O)C=C5)O[C@@H]([C@@H](O)C)C=C4
Compound: Penicitide B
SMILES: O=C1O[C@H](C[C@@H](C1)O)CCCCC(CC(O)(CC[C@H](O)C)C)C
Compound: GEX1Q5
SMILES: O=C(O)C[C@@H]1O[C@H](/C(=C/C=C/[C@H](C[C@]2(O[C@@H]2[C@@H]([C@@H](O)[C@H](O)C)C)C)C)/C)[C@@H](C)CC1
Compound: Trichodermatide B
SMILES: O=C1C2=C(O[C@H](C(=O)CCCCCC)CC2)CC[C@@H]1O
Compound: Commnesin 470
SMILES: O=C(N1C2N3C(C=4C=CC=C5C4C6(C2(C7=C(NC6N5C=O)C=CC=C7)CC1)CC3)C8OC8(C)C)C
Compound: Mycosporine hydroxyglutamicol
SMILES: O=C1C(OC)=C(NC(C(O)CC(=O)O)CO)CC(C1)(O)CO
Compound: SO 75R1
SMILES: O=C1C2=C(O)C3=C(CC(O)(C)CC3OC4OC(C(OC)C(C4O)OC)C)C(=C2C(=O)C=5C1=C(OC)C(=CC5)C)O
Compound: 5-(E)-But-2-enylidene-3-propyl-5H-furan-2-one
SMILES: O=C1O/C(=C/C=C/C)/C=C1CCC
Compound: Variecolorin D
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H]4OC(C)(C)OC4(C)C)NC2C(C=C)(C)C)C
Compound: 3-(2,4-dihydroxy-6-methylbenzyl)-orsellinaldehyde
SMILES: O=CC1=C(O)C(=C(O)C=C1C)CC2=C(O)C=C(O)C=C2C
Compound: Cannabiorcichromenic acid
SMILES: O=C(O)C1=C(O)C2=C(O[C@](CCC=C(C)C)(C)C=C2)C=C1C
Compound: Streptopyrrolidine
SMILES: O=C1N[C@H](CC2=CC=CC=C2)[C@@H](C1)O
Compound: 12-deacetylphomoxanthone
SMILES: O=C1C2=C(O)C3=C(C(C4=C5O[C@@]6(C(C(=O)C[C@@H]([C@@H]6OC(=O)C)C)=C(C5=C(O)C=C4)O)CO)=CC=C3O)O[C@]2([C@@H](OC(=O)C)[C@H](C1)C)COC(=O)C
Compound: (-)-placodiolic acid
SMILES: O=C1C(=C(O)[C@@]2(C=3C(O)=C(C(=O)C)C(=C(C3O[C@]2(C1)OC)C)O)C)C(=O)C
Compound: Brocaeloid C
SMILES: O=C(NCCC=1C2=C(C=CC=C2)NC1C(C=C)(C)C)C
Compound: 1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@]4([C@H](O)C[C@H](O)C([C@@H]4CC3)(C)C)C)CC2)(C)CC1)C)CCC=C(C)C
Compound: Cibetaetin
SMILES: O=C/1N([C@@H](C(O)C)C(\C1=C(\O)/[C@@]2([C@@H](C=C[C@H]3[C@@H]2CC[C@@H](C3)C)/C=C/C)C)=O)C
Compound: Viequeamide B
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N([C@H](C(NC(C(O[C@H](C1(C)C)CCCC#C)=O)C(C)C)=O)C)C)=O)CC3=CC=CC=C3)C(C)C)C)C(C)C
Compound: Vialisyl A
SMILES: O=C(OC1=C(OC(=O)CC2=CC=CC=C2)C3=C(OC4=C3C=C(O)C(=C4)O)C5=C1C6=C(C=C(O)C(=C6)O)O5)CC7=CC=CC=C7
Compound: Oxepinamide G
SMILES: O=C1N2C(N=C3[C@]1(OC)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)C(C)C
Compound: Limazepine A
SMILES: O=C1N2C=C(CC)C[C@H]2C(=O)NC3=C1C=CC(=C3O)OC
Compound: 8-hydroxy-8,9-dihydrolactidomycin
SMILES: O=C1O[C@@H](/C(=C/[C@@H](C(=O)C[C@H](O)CC2CC(=O)NC(C2)=O)C)/C)[C@H](C[C@H](O)C=CCCC=C1)C
Compound: Oblongolide C
SMILES: O=C1OC[C@@]2([C@]1([C@@H]3[C@H](C[C@@H](C)CC3)C=C2)C)O
Compound: methyl 5-glucosyl-5,6-dihydro-apo-4,4′-lycopenoate
SMILES: O=C(OC)C(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CCC(CC1OC(C(O)C(C1O)O)CO)(C)C)C)C)C)C)C
Compound: Terrephenol B
SMILES: O=C1O[C@](C(=O)OC)(CC2=C(O)C(=C(OC)C=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3
Compound: Chojalactone A
SMILES: O=C1OC[C@@H]([C@@]1(O)C(=O)/C=C/C=C/C=C/C)C
Compound: Pterulamide II
SMILES: S(/C=C/C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC)[C@H](CC)C)C)C(C)C)C(C)C)C)[C@H](CC)C)C)C)C)C
Compound: Decipinin A
SMILES: O=C1C=2C(=CC(C1(OC(=O)C)C)=O)[C@H](OC(=O)/C=C/C=C/C=C/CCC)[C@]3(O[C@H](CC[C@H]3OC(=O)CCC(=O)O)C)OC2
Compound: Virescenoside Q
SMILES: O1[C@@H](OC[C@]2([C@@H](O)CC[C@]3([C@H]2CC=C4[C@@H]3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Citrantifidiol
SMILES: O[C@]1([C@@H](CC[C@]([C@H]1C)(O)C)CCC=C(C)C)C
Compound: Gobienine A
SMILES: O=C1O[C@H]2[C@H](O[C@H]3[C@H](O[C@@H](CCCCCCCCCCCCC[C@H]4[C@@H]1[C@H](C(=O)O4)C)C)O[C@H](CO)[C@H]([C@@H]3O)O)O[C@H](CO)[C@H]([C@@H]2O)O
Compound: Sculezonone A
SMILES: O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C(C(=O)C)(C)C)=O
Compound: Preubetaochromone D
SMILES: O=C1C2=C(O[C@H]3[C@@H]1[C@](O)(C(=O)OC)[C@H](O)[C@@H]3C)C=CC=C2O
Compound: Isohericerin
SMILES: O=C1N(CC2=C1C=C(OC)C(=C2O)CC=C(CCC=C(C)C)C)CCC3=CC=CC=C3
Compound: (2R,3R,4S)-4-hydroxy-6-methoxy-3-methyl-2-[(2E,4E,6E,8R)-8-methyldeca-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-5-one
SMILES: O=C1N(OC)C=CC2=C1[C@@H](O)[C@@H](C)[C@@H](O2)/C(=C/C=C/C=C/[C@@H](CC)C)/C
Compound: Furanone B
SMILES: O=C1C(OC(=C1/C=C/C(=O)O)CCC)=C(C)C
Compound: Cyanogriside A
SMILES: O1C2=C(N=C(/C=N\O)C=C2O[C@H]3[C@]1(OC)[C@H](O)[C@@H](OC)[C@@H](O3)C)C4=NC=CC=C4
Compound: Erinacerin E
SMILES: O=C1N([C@H](C(=O)O)C(C)C)CC2=C1C=C(O)C(=C2O)C/C=C(/CC/C=C(/C(=O)O)\C)\C
Compound: Eutypinol
SMILES: OC1=C(C#CC(=C)C)C=C(CO)C=C1
Compound: Boletinin I
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)/C
Compound: p-mercuribenzoate
SMILES: [O-]C(=O)c1ccc([Hg])cc1
Compound: 18E-lyngbyaloside C
SMILES: Br/C=C/C=C/CC[C@]1(OC(=O)C[C@]2(O[C@H](C[C@H](C2)O[C@@H]3O[C@H]([C@H](OC)[C@H]([C@H]3OC)OC)C)CC[C@H]([C@@H](C1)O)C)O)C
Compound: Harzianolide
SMILES: O=C1OCC(=C1C[C@@H](O)C)C/C=C/C=C/C
Compound: Chaetophenol F
SMILES: O=C1O[C@](OC)(CC=2C1=C(O)C(=C(OC/C=C(/CO)\C)C2C=O)C)C
Compound: Aschernaphthopyrone B
SMILES: O=C1OC(CC=2C1=C(O)C3=C(O)C(C4=C(O)C5=C(O)C=6C(=O)CC(C)CC6C=C5C=C4O)=C(O)C=C3C2)C
Compound: Bripiodionen
SMILES: O=C/1NC(CC(=O)N)C(\C1=C\2/OC(C(C)C=C2)C(C)C)=O
Compound: Eujavanicol C
SMILES: O=C1C=C([C@@](C(=O)CCO)(C)[C@@H]2[C@@H]1[C@H](O)[C@H](O)C[C@H]2C)[C@@H](CC)C
Compound: Alterporriol P
SMILES: O=C1C2=C(C(O)=C(C)C=C2C(=O)C=3C1=C(O)C=C(OC)C3)C4=C(O)C=5C(=O)C6=C([C@@H](O)[C@@](O)(C)[C@@H](C6)O)C(C5C=C4OC)=O
Compound: Piscicocin V1a
SMILES: SCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(=O)N)C(C)C)CO)C(=O)NC(C=O)CC(=O)N
Compound: EI-2128-1
SMILES: O=C1[C@H]2O[C@H]2C3(O[C@@H](O)[C@H](C3)NC(=O)/C=C/C(CC(CCCCCC)C)C)[C@@H]4[C@H]1O4
Compound: Epoxyvirone
SMILES: O=C1C2=C([C@]3([C@H]4O[C@H]4[C@@H](C=5C3=C1OC5)O)C)CC[C@]6([C@H]2CC[C@@H]6C(=O)C)C
Compound: Antillatoxin
SMILES: O=C1N([C@H](C(=O)NCC(=O)O[C@H]([C@@H](C(CC(N[C@H]1C)=O)=C)C)/C(=C/C(=C/C(C)(C)C)/C)/C)C(C)C)C
Compound: Phomopsinone B
SMILES: O=C1OC2=C(CO[C@H](C2)C[C@H](O)C)C(=C1)OC
Compound: Memnobotrin B
SMILES: O=C1N(CC2=C1C=C(O)C3=C2O[C@@]4([C@@H]([C@@]5([C@H](C([C@@H](OC(=O)C)CC5)(C)C)CC4)C)C3)C)CCO
Compound: Kistamicin B
SMILES: ClC1=C2OC3=C(O)C=CC(=C3)C(NC(C4NC(C(C(=C1)C=C2)NC(=O)C5NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)NCCC6=CC=CC=C6)CC7=CC=C(O)C=C7)CC=8C9=C(C=C(C%10=CC5=CC(OC%11=CC=C(C4)C=C%11)=C%10O)C=C9)NC8)C%12=CC(O)=CC(=C%12)O)=O)=O)C(=O)O
Compound: 7-hydroxy-10-methoxydeacetyldihydrobotrydial
SMILES: O1[C@H](OC)[C@@H]2[C@@]3(O)[C@@H]([C@@H](O)C[C@H]2C)C([C@H]([C@@]3(C1)C)O)(C)C
Compound: Cytochalasin M
SMILES: O=C1C(=C[C@H](CC=C[C@H]2[C@@H]3O[C@]3(C)[C@H]([C@@H]4[C@@]2(OC(CC[C@@H]1O)=O)C(=O)N[C@H]4CC5=CC=CC=C5)C)C)C
Compound: Didymellamide C
SMILES: O=C1NC=C(C2(O)C=CC(=O)CC2)C(=C1C(=O)[C@H]3[C@H]4[C@H](C=C[C@H]3C)C[C@H](C)CC4)O
Compound: Chaxamycin D
SMILES: O=C1NC=2C(=O)C3=C(O)C(=C4O[C@]([C@H](C4=C3C(C2C)=O)O)(OC=C[C@@H](O)[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H](C=CC=C1)C)O)C)O)C)OC(=O)C)C)C)C
Compound: Ganorbiformin C
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)C)C
Compound: AT2433-A5
SMILES: ClC1=C2NC=3C=4NC=5C=CC=CC5C4C6=C(C3C2=CC=C1)C(=O)N(C)C6=O
Compound: Dictyopanine A
SMILES: O=C1C=C2[C@@H](OC(=O)/C=C/C(=C/CCCC)/C)CC[C@H]([C@@]2([C@H]1CC(C=O)=C)C)CO
Compound: Cytospolide M
SMILES: O=C1O[C@@H]([C@H]2O[C@@H]([C@@H]([C@H]([C@H]1C)O)O)CC2)CCCCC
Compound: 6-epi-5'-hydroxymycosporulone
SMILES: O=C1C=C[C@@H](C)C2([C@H]1O)C(=O)OC(C2O)=C
Compound: Chrysanthone C
SMILES: O=C1C2=C(O)C3=C(CC(O)(C)OC3)C=C2[C@H](O)[C@@H](C1)OC
Compound: Azolemycin A
SMILES: S1C(=NC(=C1)C=2OC(C)=C(N2)C(=O)N[C@H](C(=O)OC)[C@H](CC)C)C=3N=C(C=4N=C([C@@H](NC(=O)/C(=N\O)/C(C)C)C(C)C)OC4)OC3C
Compound: Lyngbyabellin J
SMILES: ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@H](OC(=O)C[C@@H](OC(=O)C)[C@@H](NC(=O)CCC)C(C)C)COC(C=3N=C([C@H](OC([C@H]1C)=O)[C@@](O)(CC)C)SC3)=O)SC2)C
Compound: Himalomycin A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)CC(OC4OC(C(OC5OC(C(O)CC5)C)CC4)C)(CC(=O)O)C)C6OC(C7OC8OC(C)C(CC8OC7C6)=O)C
Compound: (1aS,2S,3aR,6aR)-2,5-dihydroxy-6b-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-2,3,3a,6a-tetrahydro-1aH-oxireno[2,3-g][1]benzouran-4-one
SMILES: O=C1C(O[C@@H]2[C@H]1C[C@H](O)[C@H]3C2(O3)CC=C(C)C)(O)C(=C)C
Compound: F1839-I
SMILES: O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)C2)C
Compound: 3-O-Methylalaternin-7-O-sulphate
SMILES: S(=O)(=O)(OC1=C(O)C=2C(=O)C3=C(O)C=C(OC)C=C3C(C2C=C1C)=O)O
Compound: Ampelomin C
SMILES: O[C@H]1[C@H](O)C[C@@H](C)[C@H](C1)O
Compound: Alkyldihydropyrone A
SMILES: O=C1O[C@@H](CC(=C1C)O)CCC(C)C
Compound: Isocephalosporin P1
SMILES: O=C(O)/C(=C\1/[C@H]2[C@]([C@]3([C@@H](OC(=O)C)[C@H](O)[C@H]4[C@@H]([C@H](O)CC[C@@]4([C@@H]3CC2)C)C)C)(C)C[C@@H]1OC(=O)C)/CCC=C(C)C
Compound: Bergofungin B
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)(C)C)CC(C1)O)C(NC(=O)C(NC(=O)C3N(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)C(C)C)(C)C)(C)C)(C)C)C(C)C)CC(C)C)C(C)C)(C)C)CC(C3)O)CCC(=O)N)(CC)C
Compound: Isokotanin C
SMILES: O=C1OC2=C(C(=C(C3=C(O)C=C4OC(=O)C=C(C4=C3C)OC)C(=C2)O)C)C(=C1)OC
Compound: Macbecin II
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)C(OC)C(CC(OC)C(OC)C(C=C(C(C(C=CC=C1C)C)OC(=O)N)C)C)C
Compound: Trichoketide A
SMILES: O=C1C2=C(O[C@H](C2)/C=C/CCCCCC)CC[C@@H]1O
Compound: 2,3-dihydropyrenophorolic acid
SMILES: O=C(O)CC[C@@H](O)CC[C@H](O)C
Compound: Cycloaspeptide D
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(C)C)C(N([C@H](C(NC2=C1C=CC=C2)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C)C
Compound: Brabetaicicene H
SMILES: O(C[C@]1(O)C2=C[C@@H]3C(=C(C(C)C)[C@@H]([C@H]3C)O)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C
Compound: Hydroxyfungerin B
SMILES: O=C(OC)/C=C/C=1N(C=NC1C/C=C(/CO)\C)C
Compound: Catenulipeptin
SMILES: S1C[C@]2(NC(=O)[C@@H](NC(=O)CNC([C@H](C2)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CN)CC=3NC=NC3)CC(=O)O)=O)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H]([C@H](O)C)C(NCC(N[C@@H](C1)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H]4C(=O)NCC(=O)N[C@H](C(N[C@]5(C4)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N[C@@H](CSC5)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)O)=O)CC(C)C)=O)[C@H](CC)C)CC=6NC=NC6)CC(=O)N)=O)=O)C(C)C
Compound: Legonmycin A
SMILES: O=C1C(=C(NC(=O)CC(C)C)N2[C@]1(O)CCC2)C
Compound: Kawaguchipeptin A
SMILES: O=C1N2[C@H](C(=O)N3[C@@H]4NC=5C=CC=CC5[C@]4(CC=C(C)C)C[C@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N6[C@H](C(N[C@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)C[C@]7(C=8C=CC=CC8N[C@@H]67)CC=C(C)C)=O)CC(=O)N)=O)CC(=O)N)=O)CC(=O)O)CC(=O)N)CC(C)C)CCC2
Compound: (S)-(+)-11-dehydrosydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@@](O)(CCCC(=C)C)C)C=C1
Compound: N-(lysergyl-isoleucyl)-cyclo(phenylalanyl-prolyl)
SMILES: O=C1N2[C@@H](C(=O)N([C@H]1CC3=CC=CC=C3)C(=O)[C@@H](NC(=O)[C@@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C(CC)C)CCC2
Compound: Purpuride B
SMILES: O=C1OCC2=C1[C@H](OC)C[C@@H]3[C@@]2([C@@H](OC(=O)[C@@H](NC(=O)C)C(C)C)CCC3(C)C)C
Compound: Speciosin C
SMILES: O1[C@@]2(C#CC(=C)C)[C@@H](O)C=C[C@@H]([C@@H]12)O
Compound: Sporminarin A
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@@]1(O[C@@](C[C@@H]([C@H]1O)C)(CC(CC)C)C)C)/C)C)C)C)/C)C
Compound: Citreohybridone K
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@]36C(=O)OC)C)C
Compound: 4-methyl-L-glutamic acid
SMILES: CC(C[C@H](N)C(O)=O)C(O)=O
Compound: Bipolenin A
SMILES: OC([C@@H]1[C@@]2(C(CO)=C[C@H]1[C@@H](C(C)C)CC2)C)CO
Compound: Mortivinacin B
SMILES: O=C(NCC(=O)OC)C1=C(O)C(=C(O)C(=C1C)C)C
Compound: 2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SMILES: O1C(O[C@@H]2C=3C(=C(O)C4=C(OC)C=C(C=C4C3)OC)CO[C@H]2C)C(O)C(O)C(C1CO)OC
Compound: 11-eudesmene-1alpha,6beta-diol
SMILES: O[C@H]1[C@H]2[C@@]([C@@H](O)CC[C@H]2C)(CC[C@@H]1C(=C)C)C
Compound: Mixirin A
SMILES: O=C1N2[C@@H](C(=O)NC(CC(=O)N[C@H](C(=O)N[C@H](CC3=CC=C(O)C=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(=O)N)=O)CO)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(=O)N)CCCCCCCCCCC)CCC2
Compound: (2S)-1-[(2E)-2-[(5E)-5-[carboxy(phenyl)methylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetyl]pyrrolidine-2-carboxylic acid
SMILES: O=C(O)/C(/C1=CC=CC=C1)=C\2/OCO/C2=C(\C3=CC=CC=C3)/C(=O)N4[C@H](C(=O)O)CCC4
Compound: Verticilatin
SMILES: O(C1=CC(O)=C(CC=C(C)C)C(=C1)C)C2=CC(O)=CC(=C2)C
Compound: Acremolide B
SMILES: O=C1N2[C@H](C(=O)OC(C(CCCCC(=O)C)C)CC(C(C(N[C@@H]1CC3=CC=CC=C3)=O)C)O)CCC2
Compound: Inubosin B
SMILES: OC=1C2=NC=3C(=CC=CC3)C=C2C=C(C1)CO
Compound: 8-Deoxylankolide
SMILES: O=C1O[C@H]([C@@H]([C@@H](O)[C@@H](C(=O)[C@H](C)C[C@@H]([C@@H]([C@@H]([C@H]([C@H]1C)O)C)O)C)C)C)C(C(O)C)C
Compound: 4-(methylamino)butyrate
SMILES: CNCCCC([O-])=O
Compound: betagamma-dehydrocurvularin
SMILES: O=C1O[C@H](CCC=CCC(C2=C(C1)C=C(O)C=C2O)=O)C
Compound: Benquinol
SMILES: O=C(OCC)/C=C/C=C/CC/C=C/CCC[C@@H](O)C
Compound: Preubetaomerin J
SMILES: O=C1C2=C(O)C=CC3=C2[C@@]4(OC=5C=CC=C6C5[C@@](O3)([C@H](OC(=O)C)CC6=O)O4)[C@H]7[C@@H]1O7
Compound: [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadecanoate
SMILES: O=C(OC[C@H]1C(=CCC2[C@@]1(CCCC2(C)C)C)C)CCCCCCCCCCCCCCCCC
Compound: (-)-syn-2-isobutyl-4-methylazetidine-2,4-dicarboxylic acid
SMILES: O=C(O)[C@]1(N[C@](C(=O)O)(C)C1)CC(C)C
Compound: Anabaenopeptin 908
SMILES: O=C1N(C(C(=O)NC(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)[C@H](CC)C)CCC3=CC=C(O)C=C3)C
Compound: Dihydroxyisoechinulin A
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C
Compound: Tricladic acid B
SMILES: O=C(O)/C(/C(C(=O)O)=C)=C/CCCC[C@@H](O)CC
Compound: 8-Acetamido-1,1,15,15,15-pentachloropentadeca-3-yne
SMILES: ClC(Cl)(Cl)CCCCCC[C@H](NC(=O)C)CCCC#CCC(Cl)Cl
Compound: Trichorzin PA IV
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC=2C3=C(C=CC=C3)NC2)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CO)C)(C)C)(CC)C)CCC(=O)N)(CC)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Thielavin I
SMILES: O=C(OC1=C(C(O)=CC(=C1C)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: 3S,4R-(+)-4-hydroxymellein
SMILES: O=C1O[C@H]([C@H](O)C=2C1=C(O)C=CC2)C
Compound: Actinosporin D
SMILES: O=C1C=2C3=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C=C(C)C=C3C=CC2C(=O)C5=C1C=CC=C5O[C@@H]6O[C@H]([C@H](O)[C@H]([C@H]6O)O)C
Compound: 21-hydroxyrustmicin
SMILES: O=C1O[C@H](C(=CC(=C)C[C@H](C)C=C(C[C@](C([C@H]1C)=O)(O)CO)OC)CO)CC
Compound: Kailuin C
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@@H](CO)C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)[C@H](O)C)=O)CC(C)C)CCCCCCC(C)C
Compound: Demethylsorbicillin
SMILES: O=C(C1=C(O)C(=C(O)C=C1)C)/C=C/C=C/C
Compound: Tsugicoline E
SMILES: O1[C@]2(O)[C@@H](O)[C@@]3([C@H]4CC(C)(C)C[C@H]4[C@@H]([C@@](C1)(O)[C@H]23)O)C
Compound: Amaninamide
SMILES: [S@@]1(=O)C=2NC=3C=CC=CC3C2CC4NC(=O)C(NC(=O)C5N(C(C(NC(C(C1)NC(=O)CNC(=O)C(C(CC)C)NC(CNC4=O)=O)=O)CC(=O)N)=O)C[C@H](O)C5)[C@@H]([C@H](O)CO)C
Compound: Aeruginopeptin 95-B
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)CC2=CC=C(O)C=C2)[C@H](O)C)CCC(=O)N)C(=O)N[C@H](C(=O)NC3CCC(N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)[C@H](O)C)C3=O)O)CC5C=CC(O)CC5)C
Compound: Macquarimicin B
SMILES: O=C1O[C@@H]2C[C@H](O)C[C@@H]3[C@H]([C@@H](C1=C(O)C2)CC(=O)C)[C@@H]4[C@@H](C(=O)[C@@H](C4)C)C=C3
Compound: Tetarimycin A
SMILES: O=C1C=2C(=O)C3=C(C=C(O)C=C3C)C(C2C(C)(C)C=4C1=C(O)C=C(O)C4)=O
Compound: methyl (2R,4R,6S,8E,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate
SMILES: O=C1O[C@H](CC=CC(O)(C(=O)OC)[C@H](C[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)O)C
Compound: Scyptolin B
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@H](NC(=O)[C@H](CC(C)C)NC([C@H]([C@H](OC([C@@H](NC2=O)C(C)C)=O)C)NC(=O)C(NC(=O)[C@@H](NC(=O)CCC)C)C(OC(=O)[C@@H](NC(=O)CCC)C)C)=O)CC[C@H]3O)C(O)C)C
Compound: Terresterone A
SMILES: O=C1[C@@]2(C(C(=O)C)=CC[C@H]2C3=CCC=4[C@@]([C@H]3C1)(C[C@H](O)[C@H](C4)O)C)C
Compound: Brevianamide O
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)[C@](O)(NC([C@@H]2CC4=CC=CC=C4)=O)C(CC)C
Compound: YM-47524
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)[C@H](C4)OC(=O)/C=C/C)O[C@H](C2)[C@]35OC5)COC(=O)[C@@H](O)[C@@H](C)CCO[C@H](C=CC=C1)[C@@H](O)C)C
Compound: Diaportinic acid
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)C[C@@H](O)C(=O)O
Compound: Lycopodiellactone
SMILES: O=C1OC(=C)[C@@H](C)C=2C1=C(O)C=C(O)C2CC=3C(=O)OC(C)=CC3O
Compound: Agaricoglyceride D
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C(=O)OCC(OC(=O)C)COC(=O)C2=CC(Cl)=C(O)C(=C2)Cl
Compound: Cyclomarinone
SMILES: O=C1C2=C(C(OC)=C(C)C(=C2)O)[C@H](C1)O
Compound: Talarolutin D
SMILES: O=C1C=CC(C)(C)[C@]2([C@]1([C@@H]3[C@@](OC=4O[C@H](C)CC(C4C3)=O)(C)CC2)C)O
Compound: Cuevaene D
SMILES: O=C(N)/C=C/C(/OC)=C/C(=C/[C@H]1C=2C3=C(C=CC(=C3)O)OC2CCC1)/C
Compound: Sordarin E
SMILES: O=C1[C@]2([C@]3(C(=O)O)[C@@]4(C=O)[C@@H]5CC[C@H]([C@H]5C[C@@]3([C@@H]1C4)CO[C@@H]6O[C@@H]([C@@H](OC)[C@H]([C@@H]6O)O)C)C)C(C)C2
Compound: 3-(3-(2-hydroxyethyl)-1H-indol-2-yl)-3-(1H-indol-3-yl)propane-1,2-diol
SMILES: OC([C@H](C=1NC=2C=CC=CC2C1CCO)C=3C4=C(C=CC=C4)NC3)CO
Compound: Cryptophycin-54
SMILES: ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)[C@H](CC)C)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)C
Compound: Trichorovin-IVa
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)C(C)C)C(C)C)(C)C
Compound: Aeruginaldehyde
SMILES: S1C(=NC(=C1)C=O)C2=C(O)C=CC=C2
Compound: Peptidolipin C
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)CCCCCCCCCCCCCCCCCCCCCCCCC
Compound: Acremolide C
SMILES: O=C1N2[C@H](C(=O)OC(C(CCCCC(O)C)C)CC(C(C(N[C@@H]1[C@@H](CC)C)=O)C)O)CCC2
Compound: Akolitserin
SMILES: O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2C(=O)OC)C
Compound: MR304A
SMILES: O[C@@]1([C@H](O)C(C#N)=C[C@H]1O)[C@@H](O)C
Compound: Armillariol B
SMILES: O=C(OC[C@@H](O)[C@H](O)CO)CC(C)C
Compound: Panowamycin A
SMILES: O=C(C([C@@H]1O[C@@H](C=2C=C(C)C=CC2[C@@H]1C)CCO)C)C
Compound: Indigotide A
SMILES: O1[C@@H](OC2=C(O)C3=C(C=C(/C=C/C=C/C)OC3)C=C2O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Compound: JBIR-81
SMILES: O=C(N(C(C(=O)N/C=C\C=1C2=C(C=CC=C2)NC1)CC(C)C)C)C(NC(=O)C)C(C)C
Compound: Antrodin F
SMILES: O=C/1N(O)C(=O)[C@H](\C1=C\C(C)C)C2=CC=C(OCC=C(C)C)C=C2
Compound: (5Z)-Bripiodionen
SMILES: O=C/1NC(CC(=O)N)C(\C1=C/2\OC(C(C)C=C2)C(C)C)=O
Compound: 2-chloro-1,3-dimethoxy-5-methylbenzene
SMILES: ClC1=C(OC)C=C(C)C=C1OC
Compound: Neosartin C
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@@H]3C(=O)N4[C@H]5N(C([C@H]4C(C)C)=O)C6=C([C@@]5(C3)O)C=CC=C6
Compound: Neonectriolide C
SMILES: O=C1O[C@H]2C=3C(O[C@@]4([C@H]2C[C@@H](C)O4)C[C@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC
Compound: RES-1149-2
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/C=C/C=C/C)C
Compound: Phomolactonexanthone B
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(O)=C5C(=O)C[C@@H](C)[C@H]([C@@]5(CO)OC4C=C3)OC(=O)C)=CC=C2O[C@](C1)([C@@H]6OC(=O)C[C@H]6C)COC(=O)C
Compound: Chivotriene
SMILES: O=C(C[C@@H](O)/C=C/C=C/C=C\[C@@H]([C@H](O)[C@H]([C@@H](O)C[C@H](O)C)C)C)CC
Compound: Epicoccamide D
SMILES: O=C1N(C(C)C(C1=C(O)C(CCCCCCCCCCCCCCCCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)=O)C
Compound: Hydroxypseudomonic acid-C amide
SMILES: O=C1NCCCC1NC(=O)CCCCCCCOC(=O)/C=C(/C(O)[C@@H]2OC[C@H](C/C=C/[C@H]([C@@H](O)C)C)[C@H]([C@H]2O)O)\C
Compound: 2,2'-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)O)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)O)C)C
Compound: (+/-)-tylopilusin A
SMILES: O=C1C(O)=C(C2=CC=C(O)C=C2)[C@@]([C@@]1(OC)C3=CC=C(O)C=C3)(O)C(=O)OC
Compound: Phaeosphaerin A
SMILES: O=C1C=2C=3C(=C4C5=C(C(O)=C(C6=C5C3[C@]7([C@H]6C(=O)C)C[C@@H](O[C@@]7(C2O)OC)C)OC)C(=O)C=C4OC)C(=C1)OC
Compound: Monamycin D(1)
SMILES: O=C1OC(C(=O)N2NCCCC2C(=O)N3NCC(O)CC3C(=O)N(C(C(N4C(C(NC1C(C)C)=O)CC(C)C4)=O)CC(C)C)C)C(C)C
Compound: (2S)-2-acetamido-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
SMILES: O=C(O)[C@@H](NC(=O)C)CC1=CC(=C(O)C=C1)CC=C(C)C
Compound: Oscillapeptin J
SMILES: S(=O)(=O)(OC[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](O)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@@H](CC)C)=O)CC3=CC=C(O)C=C3)C)=O)[C@H](O)CC2)CCCN=C(N)N)CC4=CC=C(O)C=C4)O
Compound: 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone
SMILES: O=C1C(O)=CC(=O)C(=C1CCCCCCCCCCCCCCC)O
Compound: Glucopiericidin A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)/C(=C/C)/C)C)/C)\C
Compound: Cytosporone H
SMILES: O=C(C1=C(O)C=C(O)C=C1CC(=O)OCC)/C=C/C=C/C[C@H](O)C
Compound: Antcamphin I
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@H]3C)=O)C)[C@@H]4CC[C@@H]([C@]4(C1)C)[C@@H](CCC(=C)[C@@H](C(=O)O)C)C
Compound: Daunomycinone
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3O)C(=C2C(=O)C=4C1=C(OC)C=CC4)O
Compound: 5,6,7,7a-Tetrahydro-3H-pyrrolizin-7a-ol-3-one
SMILES: O=C1N2[C@](O)(CCC2)C=C1
Compound: Hypoxyloamide
SMILES: O=C1OC2=C(C=C(O)C=C2)C(C1)(C(=O)N)C(O)C
Compound: Micropeptin HU989
SMILES: ClC1=C(OC)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC([C@H]([C@H](OC([C@@H](NC2=O)[C@H](CC)C)=O)C)NC(=O)[C@H](O)COS(=O)(=O)O)=O)CC[C@H]3O)[C@H](CC)C)C
Compound: (7S,8S)-Nona-3,5-diyne-1,7,8-triol
SMILES: O[C@@H](C#CC#CCCO)[C@@H](O)C
Compound: Lichenysin-G8a
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(CC)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCC(CC)C
Compound: GE20372 B
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)NC(C(=O)NC(C(=O)N[C@@H](C=O)CC2=CC=CC=C2)C(C)C)CCCN=C(N)N
Compound: Stereumin N
SMILES: O1[C@@H]2C(=CC[C@@H]3[C@@H]2[C@](O)([C@H](O)C[C@H]3C)[C@H](C1)CO)C
Compound: 7-O-(alpha-glucosyl)-cineromycin B
SMILES: O=C1O[C@@H]([C@H](CCC=C(C)[C@H](C=C[C@](C=C1)(O)C)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)C
Compound: Ganodercochlearin C
SMILES: O(C(C=C[C@@H]([C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)CC1)C)C)C)(C)C)C
Compound: 7-hydroxy-5,6,8-tris(methylsulanyl)-4H-1,4-benzothiazin-3-one
SMILES: S1C2=C(SC)C(O)=C(SC)C(=C2NC(C1)=O)SC
Compound: Hebetaeltin B
SMILES: O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@]([C@H]3C2)(CCC(C4(C)C)=O)C)O)C
Compound: Cylindrol A
SMILES: O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)CC)/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C
Compound: 3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
SMILES: N1=C(/C=C/C=C/C)C[C@@H](C1)C
Compound: (3R,3′R/S)-isotalarone
SMILES: O=C1O[C@@H](C=2C(=O)OC(C2)C)C=3C1=C(O)C=C(OC)C3
Compound: (S)-7-hydroxytrichothecolone acetate
SMILES: O=C1C(=CC2OC3[C@@]4([C@@]([C@]2([C@@H]1O)C)(C(OC(=O)C)C3)C)OC4)C
Compound: Aflaquinolone B
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@]3(C[C@@H]([C@H](O)CC3)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Compound: (S)-2-(2-hydroxyphenyl)-4-hydroxymethyl-4,5-dihydrooxazole
SMILES: O1C(=N[C@H](C1)CO)C2=C(O)C=CC=C2
Compound: Fusaricide
SMILES: O=C1N(O)C=CC2=C1[C@@H]3[C@@](C[C@@H](C)C[C@H]3C)(C)[C@H](O2)CC
Compound: 6-ethyl-2,4-dihydroxy-3-methylbenzaldehyde
SMILES: O=CC1=C(O)C(=C(O)C=C1CC)C
Compound: Terreolide F
SMILES: O=C1O[C@]2(OC[C@@H](CC[C@H]3C([C@H](C(=C)CC3)[C@@H](OC(=O)C)C=C4C(=O)OCC4)(C)C)CC2)[C@]5(C)C[C@@]1(O)C(O5)(C)C
Compound: Trichorovin-IIb
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(C)C)CO)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CC(=O)N)CC(C)C)C(C)C)(C)C
Compound: Lanopylin B2
SMILES: N1=C(/C(=C/CCCCCCCCCC/C=C\CCCCCC)/CC1)C
Compound: Moiramide C
SMILES: O=C1NC(=O)[C@H]([C@@]1(O)C(=O)[C@@H](NC(=O)C[C@H](NC(=O)/C=C/C=C/C=C/C)C2=CC=CC=C2)C(C)C)C
Compound: 4-methylsalicylic acid
SMILES: Cc1ccc(C(O)=O)c(O)c1
Compound: RS-22B
SMILES: O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=NC)N)C
Compound: 2-methoxylcordyol C
SMILES: O(C1=C(OC)C(O)=CC(=C1)C)C2=CC(O)=CC(=C2)C
Compound: (3R,4aS,5S,10aR)-5-hydroxydihydrofusarubin D
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@@H](O)[C@@H]3[C@@H]1CO[C@](C3)(O)C)O
Compound: Thielavin V
SMILES: O=C(OC1=C(C(O)=CC(=C1)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Infectopyrone
SMILES: O=C1OC(/C(=C/C(=C/C(=O)O)/C)/C)=CC(=C1C)OC
Compound: methyl 2-[(1R,3R,4R)-4,9-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@H](O[C@@H]([C@@H]3O)CC(=O)OC)CCC
Compound: 3beta-hydroxy-4beta-hydroxymethylfusida-17(20)[16,20-cis], 24-diene
SMILES: O[C@H]1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](/C(=C(\CCC=C(C)C)/C)/CC4)CC3)C)(C)CC[C@H]2[C@]1(CO)C)C
Compound: Malabetaeziazole A
SMILES: O=C(O)C(=O)C1=C2NC=3C=CC=CC3C2=CC4=C1C5=C(C=CC=C5)N4
Compound: Yanuthone B
SMILES: O=C1C=C(C(=O)[C@@H]2C1(O2)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)COC(=O)C
Compound: Berkeleyamide C
SMILES: O=C1C(C(=O)NC(=O)CC(C)C)=CN(CCO)C(=C1)[C@@H](OC(=O)C)C2=CC=CC=C2
Compound: 3,6-Diiodocarbazole
SMILES: IC1=CC2=C(NC3=C2C=C(I)C=C3)C=C1
Compound: Dhilirolide A
SMILES: O=C1OC([C@@]23O[C@@H]2C[C@]4(C5(C3=C1)[C@@]6(O[C@@]7(O)[C@@](C5)(C)C8(C49C(=O)O[C@H](C97O6)C)OC8)C)C)(C)C
Compound: L681512-2
SMILES: S(=O)(=O)(O[C@@H]1C([C@H]2[C@](C3=C(C4[C@]([C@@H](C(CCC(=C)C(C)C)C)CC4)(C)[C@H]([C@@H]3O)OC(=O)C)CC2)(C)C[C@H]1O)(C)C)O
Compound: Disorazole-G3
SMILES: O=C1OC(/C=C/C)C(C(O)CC=CC=CC=CC(OC)CC=2OC=C(N2)C(=O)OC(C(C(CC=CC(C(C=CC=CC3=NC1=CO3)O)O)O)(C)C)/C=C/C)(C)C
Compound: Arabilin
SMILES: O=[N+]([O-])C1=CC=C(/C=C(/C\C(=C/C(=C\C2=CO[C@@H](C2)C=3OC(OC)=C(C)C(C3C)=O)/C)\C)\C)C=C1
Compound: Malevamide C
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N([C@H](C(=O)N([C@@H](C(=O)N[C@H](C(N([C@H](C(N[C@H](C(N3[C@H](C(N4[C@H](C(N([C@H](C(NC(C1C)CCCC#C)=O)[C@H](CC)C)C)=O)CCC4)=O)CCC3)=O)CC(C)C)=O)C(C)C)C)=O)C)C)C)CC5=CC=CC=C5)C)COC)C)C(C)C)C)CCC2)C)C(C)C
Compound: 4-O-acetyl hygrophorone A12
SMILES: O=C1C=C[C@@H]([C@]1(O)C(O)CCCCCCCCCCCC)OC(=O)C
Compound: Schizine A
SMILES: O=C1O[C@@H]2C([C@]34C(=O)OC5[C@H]3C(CO5)=CC[C@H]4C(C2)(C)C)=N[C@H]1CC6=CC=CC=C6
Compound: Spirotryprostatin E
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(/C=C/C(OO)(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2
Compound: 5-Ketocoriolin B
SMILES: O=C1[C@]2(OC2)[C@]3([C@@H]4[C@@H](OC(=O)CCCCCCC)C(C)(C)C[C@@H]4[C@@H]([C@]53[C@@H]1O5)O)C
Compound: Tetromycin 1
SMILES: O=C1OC23C(C=C(CCC=C(C4C(C(=C1C2=O)O)(C5C=C(CC(C5CC4C)OC6OC(C(NC(=O)C7=C(O)C=C(OC)C=C7C)C(C6O)(O)C)C)C)C)C)C)(C=C(C(=O)O)C(C3)C)C
Compound: 3,5-Dihydro-3-oxo ML-236C
SMILES: O=C1C=C2[C@H](CCCC2)[C@H]([C@H]1C)CC[C@H]3OC(=O)C[C@@H](C3)O
Compound: Calcaride E
SMILES: O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)C)C)C)C
Compound: Anteiso-C17 bacillomycin D
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@@H]1CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCC(CC)C)C(O)C)CO)CCC(=O)O)CCC2
Compound: (2R)-2-amino-6-hydroxy-4-hexynoic acid
SMILES: O=C(O)[C@H](N)CC#CCO
Compound: Ascospiroketal B
SMILES: O=C1O[C@H]2C[C@]3(O[C@@H](/C=C/C=C\CC(OC(=O)C(C(O)C)C)C)CC3)O[C@H]2[C@@]1(CO)C
Compound: Acremine O
SMILES: ClC=1C(=O)[C@]2(OC(C)(C)[C@@H](C2)O)CC(C1C)=O
Compound: Macrosphelide F
SMILES: O=C1O[C@H](CC=CC(=O)O[C@H](C)CC(O[C@H]([C@@H](C=C1)O)C)=O)C
Compound: Filoboletic acid
SMILES: O=C(O)CCCCCCC(O)\C=C/C=C/C(O)CCCCC
Compound: YM-30059
SMILES: O=C1C2=C(N(O)C(=C1C)C/C=C/CCCCCC)C=CC=C2
Compound: Phomactin D
SMILES: O=C1[C@H]2[C@H](C=O)[C@]([C@H](C)CC2)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Compound: GE2270 C1
SMILES: S1C2=NC(=C1C)C(=O)NC(C=3SC=C(N3)C(=O)NCC(=O)NC(C(O)C4=CC=CC=C4)C5=NC(C6=NC(C7=C(C8=NC(C(NC2CC(=O)NC)=O)=CS8)C=CC(=N7)C=9SC=C(N9)C=%10OCC(N%10)C(=O)N%11C(C(=O)N)CCC%11)=CS6)=CS5)C(C)C
Compound: Trichorzin HA-7
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(CC)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)(C)C)(CC)C)CCC(=O)N)C(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: (4R,8R)-14,16-dihydroxy-8-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,10-dione
SMILES: O=C1O[C@@H](CCC[C@@H](OC)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Unnarmicin C
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H]1CC2=CC=CC=C2)=O)CC(C)C)=O)CC3=CC=CC=C3)CC(C)C)CCCCC
Compound: Kipukasin B
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2OC(=O)C)OC(=O)C3=C(OC)C=C(O)C=C3C
Compound: Applanoxidic acid F
SMILES: O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1([C@@H](/C(=C/C(=O)CC(C(=O)O)C)/C)CC5=O)C)C)C
Compound: Fattiviracin FV-4
SMILES: O=C1OCC2OC(OC(CC(=O)OCC3OC(OC(C1)CCCCCCCCCCCC(OC4OC(C(O)C(C4O)O)CO)CCCCCC(O)C)C(O)C(O)C3O)CCCCCCCCCCCC(OC5OC(C(O)C(C5O)O)CO)CCCCCC(O)C)C(O)C(C2O)O
Compound: Phaeosphaeride A
SMILES: O=C1N(OC)C(=C)C2=C1[C@H](O)[C@](O)(C)[C@@H](O2)CCCCC
Compound: Sydowiol D
SMILES: O(C1=C(O)C=C(C)C=C1O)C2=C(O)C(OC3=C(O)C(O)=CC(=C3)C)=CC(=C2)C
Compound: Ganorbiformin A
SMILES: O=C1C([C@H]2[C@]([C@]3(O)C(=C4[C@]([C@@H]([C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)\C)C)C[C@]4(O)C)(C)CC3)[C@@H](C2)O)(C)CC1)(C)C
Compound: Platensimycin A4
SMILES: O=C1C=C[C@]23C[C@]4(CO)O[C@H](C2[C@@]1(CCC(=O)NC5=C(O)C(C(=O)O)=CC=C5O)C)CC4C3
Compound: 6-epi-stemphytriol
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)O
Compound: Roseoferin E3
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(CCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(C)C)C(C)C)(C)C
Compound: 7-(gamma,gamma-dimethylallyloxy)-6-hydroxy-4-methylcoumarin
SMILES: O=C1OC2=C(C=C(O)C(=C2)OCC=C(C)C)C(=C1)C
Compound: 4-Chromanone, 6-hydroxy-2-methyl-(5CI)
SMILES: O=C1C2=C(O[C@H](C1)C)C=CC(=C2)O
Compound: 14-hydroxydihydromelleolide
SMILES: O=C(O[C@H]1[C@@]2(O)C(=C[C@@H]3C[C@@](CC3[C@@]2(C)C1)(CO)C)CO)C4=C(O)C=C(O)C=C4C
Compound: Sapinofuranone A
SMILES: O=C1OC([C@@H](O)\C=C/C=C/C)CC1
Compound: ethyl divaricatinate
SMILES: O=C(OCC)C1=C(O)C=C(OC)C=C1CCC
Compound: Ampullosporin D
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)CC(C)C)CCC(=O)N)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC=1C2=C(C=CC=C2)NC1)C)(C)C)(C)C)CC(C)C)(C)C)CCC(=O)N)(C)C
Compound: Glucolanomycin
SMILES: O=C(O[C@H]1[C@@H](OC[C@@H]([C@@H]1OC)C)/C(=C/C=C/C=C/C)/C)CN[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO
Compound: Asperlide
SMILES: O=C1O[C@](CC)(C)C=2C1=C(O)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C2)C
Compound: Diepoxine Alpha
SMILES: O=C1[C@]23O[C@]2(C(=O)CC[C@@H]3O)C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@H]7[C@@H]1O7
Compound: (32R,33R,34S)-35-O-phenylacetyl bacteriohopanetetrol
SMILES: O=C(OC[C@H](O)[C@H](O)[C@H](O)CC[C@H]([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)CC6=CC=CC=C6
Compound: 11-Hydroxy-aclacinomycin X
SMILES: O=C1C2=C(O)C3=C(C(C(=O)OC)[C@@](O)(CC)C[C@@H]3OC4OC(C(OC5OC(C(OC6OC(C(=O)C=C6N)C)C(C5)O)C)C(C4)N(C)C)C)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Compound: Micropeptin KT1042
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)C)=O)[C@@H](CC)C)C3=O)O)CC5=CC=C(O)C=C5)C
Compound: Karnamicin A1
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)C(O)CCC(O)C
Compound: Ansacarbamitocin D
SMILES: ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]5O)O)CO)=O)OC(=O)NC)(O4)C)C)C3)=O)C
Compound: (3R,6R)-dihydroxy-9,7(11)-dien-8-oxoeremophilane
SMILES: O=C1C(=C(C)C)[C@H](O)[C@@]2([C@H]([C@H](O)CCC2=C1)C)C
Compound: Arthrinic acid
SMILES: O=C(O)C(O)C(O)CC(O)/C=C/CC(O)/C=C/CC(O)/C(=C/C(C(O)/C(=C/C(=C\C(CC(CC)C)C)/CO)/C)C)/C
Compound: 9-Hydroxyoudemansin A
SMILES: O=C(OC)/C(=C/OC)/[C@H]([C@@H](O)/C=C/C1=CC=CC=C1)C
Compound: 10-Hydroxyisovelleral
SMILES: O=CC1=C[C@@H]2[C@H](O)C(C)(C)C[C@@H]2[C@@]3([C@@]1(C=O)C3)C
Compound: Fomitoside J
SMILES: O=C(O[C@H]1[C@@H](O[C@H](CO)[C@H]([C@@H]1O)O)O)[C@@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)CCC(=C)C(C)C
Compound: Zhankuic acid D
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CCC([C@H]3C)=O)C)[C@@H]4CC[C@@H]([C@]4(C1)C)[C@@H](CCC(=C)C(C(=O)OCC)C)C
Compound: Phomopsinone D
SMILES: O=C1OC2=C(CO[C@H]([C@H]2O)CCC)C(=C1)OC
Compound: Aspergillazine A
SMILES: S1[C@]2(NO[C@@H]3[C@]([C@H]1C=C[C@H]3O)(O)C2)C(=O)NC=4C(=O)OC=5C(OC)=C(OC)C=CC5C4
Compound: 1,4-di-O-acetyl hygrophorone E14
SMILES: O=C(C1(O)C(OC(=O)C)C=C[C@H]1OC(=O)C)CCCCCCCCCCCCCC
Compound: Pestalpolyol B
SMILES: O=C(/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/C)/C)C)/C)C)/C)C)/C)CC
Compound: Coeligiosin B
SMILES: O(C1=C(NC(=C1)C=2NC=CC2)C(C=3NC=4CCCCCC[C@@H](C3C4)CCCC)=C5N=C(CCCCCCCCCCC)C=C5)C
Compound: 3-hydroxy-23,24-dimethoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone
SMILES: O=C1N2[C@@](OCC2)(CC=3C1=C(O)C4=C5C(=O)C6=C(OC=7C=C(OC)C(=CC7C6=O)OC)C(C5=CC=C4C3)=O)C
Compound: Pinillidine
SMILES: O=C1OC(=CC(=C1C(C=2C(=O)OC(/C=C/C3=CC(O)=C(O)C=C3)=CC2O)C)O)/C=C/C4=CC(O)=C(O)C=C4
Compound: (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem
SMILES: O=C1C=C2[C@@]3(CC[C@]4([C@H]2CC[C@@H]5[C@@]4(C=6NC=7C=CC(=CC7C6C5)C(C=C)(C)C)C)C)O[C@@H]1C(O3)(C)C
Compound: Pholipeptin
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CO)C(N[C@@H](C(N[C@H](C(NC(CC(O[C@@H]([C@@H]1NC(=O)C(NC(=O)[C@H](NC(=O)CC(O)CCCCCCC)CC(C)C)CC(=O)O)C)=O)C(=O)O)=O)[C@H](CC)C)=O)CC(C)C)=O)CC(C)C)CO)CC(C)C)CC(C)C
Compound: TAN-1518 B
SMILES: O=C1C2=C(O)C3=C(O)C(=CC=C3C(C2CC4C1(OC)C(O)=C(C(=O)C4OC(=O)C5=C(O)C=CC=C5)C(=O)N)(OC)C)C6OC(C(OC(=O)/C(=C\C)/CC)C(C6)O)C
Compound: Vertihemiptellide A
SMILES: S1S[C@]2(NC(=O)[C@](SS[C@@]3(C(N([C@]1(C(=O)N3)CC4=CC=CC=C4)C)=O)CO)(CC5=CC=CC=C5)N(C2=O)C)CO
Compound: Ganomastenol D
SMILES: O[C@H]1C(=C)[C@@H]2[C@H](C=C(CO)CC2)[C@H]([C@@H]1O)C(C)C
Compound: Pyrronazol C2
SMILES: ClC=1NC(/C=C(\C=2OC=C(N2)C(O)C(C(O)C)C)/C)=CC1
Compound: Xanthonol
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H](C6(CO)OC5C=C4C)O)=C(C)C=C3OC2(C(=O)OC)[C@H](OC(=O)C7=CC=CC=C7)CC1
Compound: Echinoserine
SMILES: S(C(SC)C(N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C1=NC=2C(=CC=CC2)N=C1)CO)C)C)C(=O)N([C@H](C(=O)O)C(C)C)C)CC(N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)N=C3)CO)C)C)C(=O)N([C@H](C(=O)O)C(C)C)C
Compound: Acremine L
SMILES: O=C1C=C([C@@H](O)[C@@H]([C@H]1C)O)[C@H]2O[C@@H]2C(O)(C)C
Compound: Scalbucillin B
SMILES: O=C(C1=C(O)C=C(OC)C(=C1)CO)/C=C/C=C/C
Compound: Funatrol C
SMILES: O=C1C([C@H]2[C@]([C@H](C(=C)CC2)CO)(C)CC1)(C)C
Compound: Epurpurin A
SMILES: OC1=C(C=C(/C=C(\C#N)/C(/C#N)=C/C2=CC(=C(O)C=C2)CC=C(C)C)C=C1)CC=C(C)C
Compound: [4-[(1Z,3Z)-4-(3,4-dihydroxycyclohexen-1-yl)-2,3-diisocyanobuta-1,3-dienyl]cyclohexyl] 3-methylbut-2-enoate
SMILES: O=C(OC1CCC(/C=C(\[N+]#[C-])/C(/[N+]#[C-])=C/C2=CC(O)C(O)CC2)CC1)C=C(C)C
Compound: Isariotin M
SMILES: O=C1[C@@]2(O[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCCCC)[C@H]3O[C@H]3[C@H](C1)OC
Compound: Moiramide A
SMILES: O=C(N[C@H](C1=CC=CC=C1)CC(=O)O)/C=C/C=C/C=C/C
Compound: Apratoxin G
SMILES: S1C2=NC(C1)C=C(C(=O)N[C@H](C(=O)N([C@H](C(=O)N(C)[C@H](C(N([C@H](C(O[C@@H](C[C@H](C[C@@H]([C@@H]2C)O)C)C(C)(C)C)=O)C)C)=O)C(C)C)C)C)CC3=CC=C(OC)C=C3)C
Compound: (E)-5,8-dihydroxy-3-(1-pentenyl)isocoumarin
SMILES: O=C1OC(=CC=2C1=C(O)C=CC2O)/C=C/CCC
Compound: Thielavin M
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(=C2C)C)C
Compound: Urdamycin H
SMILES: O=C1C2=C(O)C(=CC=3C2=C(OC3C4=CC=C(O)C=C4)C5=C1C=C[C@]6([C@]5(OC7OC(C(O)CC7)C)C(=O)C[C@@](O)(C)C6)O)C8OC(C(O)C(C8)OC9OC(C(OC%10OC(C(O)C(C%10)O)C)CC9)C)C
Compound: 4-methoxy-6-methyl-5-(3-oxobutyl)-2H-pyran-2-one
SMILES: O=C1OC(=C(CCC(=O)C)C(=C1)OC)C
Compound: 4'-O-methyldihydroaustocystin F
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4[C@@]3(OC)CCO4)C=C2OC5=C1C(O)=CC=C5
Compound: Akoenic acid
SMILES: O=C(O)/C(=C/CCCCC)/[C@H](C(=O)OCCCC)C
Compound: Phellibaumin A
SMILES: O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)O2)/C=C/C4=CC(O)=C(O)C=C4
Compound: 2,5-dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)-1,4-benzoquinone
SMILES: O=C1C(O)=C(C(=O)C(=C1C2=CC(O)=C(O)C(=C2)O)O)C3=CC=CC=C3
Compound: Fluostatin K
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)C=C[C@@]1(O)C
Compound: Brocaenol C
SMILES: O=C1OC=C(C)C([C@@]2(C1=C(O)C3=C(C=CC=C3O)O2)C(=O)OC)=O
Compound: PD116779
SMILES: O=C1C2=C3C(=O)[C@H](O)[C@@](O)(C)CC3=CC=C2C(=O)C4=C1C=CC=C4O
Compound: 4-methoxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione
SMILES: O=C1C(=O)C(C2=CC=CC=C2)=CC(=C1C3=CC=CC=C3)OC
Compound: Varioloid B
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)[C@](OC)(NC([C@@H]2CC4=CC=CC=C4)=O)C(C)C
Compound: Dihydrotrichodermolide
SMILES: O=C1C(=C([C@@]2(C)[C@H]([C@@]1(OC2=O)C)CC(=O)CC/C=C/C)CC(=O)/C=C/C=C/C)C
Compound: Venezueline C
SMILES: O=C(OC1=C(NC(=O)C)C=C2NC=3C=C(CO)C=CC3OC2=C1)CO
Compound: Stenothricin D
SMILES: S(=O)(=O)(O)C[C@H](NC(=O)CC(=O)CCCCCCCCC(CC)C)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(/C(=O)N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N(CC(O[C@@H]1C)=O)C)=O)CCCCN)=O)CO)=O)=C\C)CN)CO
Compound: Ruguloxanthone A
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)CC(C=O)(C)C
Compound: Ganohainanic acid B
SMILES: O=C1C2=C([C@]3(CCC([C@]([C@@H]3C1)(CO)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H](CC(=O)C[C@@H](C(=O)O)C)C)C)C
Compound: 2,4-dimethyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
SMILES: O=C(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C2=C(OC=C2C)C
Compound: 4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
SMILES: O=C1O[C@H](CCC(O)CC(OC=O)CC)[C@H]1C
Compound: Micropeptin MZ925
SMILES: S(=O)(=O)(O[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)CCCN=C(N)N)CO)O
Compound: Indigotide B
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C=C(O)C=C3C=C2O[C@H]([C@@H]1C)C
Compound: Lobocyclamide B
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(NC(C(N[C@H](C(N[C@@H](C(N[C@@H]1CCC(=O)N)=O)[C@@H](O)C(C)C)=O)C)=O)[C@@H](O)C(C)C)=O)C(C)C)=O)CCCCCCC)[C@H](O)C)CC(C)C)C[C@H](C2)O)[C@H](O)C)[C@@H](O)CO)C(CC)C)C
Compound: Brasilamide N
SMILES: O=C1O[C@@]2(CC[C@@H]3[C@]1([C@@H]2C3)C[C@H](O)/C=C(/C(=O)N)\C)C
Compound: Spiromastixone D
SMILES: ClC1=C2OC3=C(C=C(O)C(=C3CCC)Cl)OC(C2=C(CCC)C=C1O)=O
Compound: 6-Hydroxyramulosin
SMILES: O=C1O[C@@H](C[C@H]2C1=C(O)C[C@H](O)C2)C
Compound: Ophiobolin T
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@@H]([C@H](C4OC(C)(C)C=C4)C)CC[C@@]3(C2)C)C=O
Compound: 3-o-acetylbotcineric acid
SMILES: O=C(O[C@H]1[C@@H](O[C@@]([C@@H](OC(=O)C)[C@H](C(=O)O)C)(C)[C@H]([C@@H]1C)O)C)/C=C/[C@@H](O)CCCCCC
Compound: YM-254891
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@@H]([C@H](OC)C)C(O[C@@H]([C@@H](C(O[C@@H](C(N(C1=C)C)=O)CC2=CC=CC=C2)=O)NC(=O)C)C)=O)C)[C@H](OC(=O)[C@@H](NC(=O)CC)[C@H](O)C(C)C)C(C)C)C)C)C
Compound: N-(2-amino-2-oxoethyl)-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]oxy-N-[hydroxy-(12-methyltridecylamino)oxyphosphoryl]phosphonamidic acid
SMILES: P(=O)(ONCCCCCCCCCCCC(C)C)(O)N(P(=O)(OC1C(OCC2OC(N3C(=O)N=C(N)C=C3)C(C2O)O)=C(CO)C(C1O)O)O)CC(=O)N
Compound: 4'-(4,5-dimethyl-1,3-dioxolan-2-yl)methyl-phenol
SMILES: O1C(O[C@H]([C@@H]1C)C)CC2=CC=C(O)C=C2
Compound: Sulphureuine A
SMILES: O=C(O)[C@@]1(CC2=C(C3(CC3)[C@@H](C[C@@H]2C1)C)C)C
Compound: 13'-Acetyltrichoverrin B
SMILES: O=C(OC[C@@]12[C@@]3([C@@]4(OC4)[C@H](O[C@@H]1C=C(C)CC2)C[C@H]3OC(=O)/C=C\C=C\[C@H](O)[C@H](OC(=O)C)C)C)/C=C(/CCO)\C
Compound: 4-oxahomoadamantan-5-one
SMILES: O=C1OC2CC3CC(C2)CC1C3
Compound: 3-hydroxybutan-2-yl 2-hydroxy-3-phenylpropanoate
SMILES: O=C(OC(C(O)C)C)C(O)CC1=CC=CC=C1
Compound: Actinomycin Y1
SMILES: ClC[C@H]1OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@H]2N(C([C@H](NC([C@H]1NC(=O)C3=C(N)C(=O)C(C)=C4C3=NC5=C(C(=CC=C5C(=O)N[C@@H]6C(=O)N[C@@H](C(=O)N7[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]6C)=O)C(C)C)C)=O)[C@@H](O)C[C@@H]7C)C(C)C)C)O4)=O)C(C)C)=O)CC(=O)C2)C)C)C
Compound: Cis-3-(4-hydroxyphenyl)-4-isobutyldihydrofuran-2,5-dione
SMILES: O=C1OC(=O)[C@H]([C@H]1C2=CC=C(O)C=C2)CC(C)C
Compound: (3R,4S,4aR,5S,8aS)-4,4a,8a-trihydroxy-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-3,5,7,8-tetrahydro-1H-isochromen-6-one
SMILES: O=C1[C@@H](OC)[C@@]2(O)[C@@](O)(CO[C@@H]([C@@]2(O)C)CC=C(C)C)CC1
Compound: Saponaroxin A
SMILES: O=C1C=2OC[C@@H](C2[C@H]3[C@]1(CC=C(CCC=C(C)CCC(C(=CC3)C)O)C)C)C
Compound: Butylcyclohexylprodigiosin
SMILES: O(C=1C(N=C(C1)C=2NC=CC2)=CC=3NC=4CCCCCC[C@@H](C4C3)CCCC)C
Compound: Tolyporphin I
SMILES: O=C1C=2N=C(C1(OC(=O)C)C)C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5)C)C(OC(=O)C)(C4=O)C)C=C3C
Compound: 2,5-dimethyl-3-(methylsulfanyl)pyrazine
SMILES: S(C1=NC(=CN=C1C)C)C
Compound: Rhytidchromone D
SMILES: O=C1C2=C(OC(=C1)C)C(=C(OC)C=C2O)[C@H](OC)C[C@@H](OC)C(=O)O
Compound: Solphenazine A
SMILES: O=C(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C=2C3=NC=4C(=C(C(=O)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)C=CC4)N=C3C=CC2
Compound: Aurantimycin B
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@](O)([C@]2(O[C@H]([C@H](CC(C)C)CC2)C)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](COC)C(NCC(N4[C@H](C(N([C@@H]1C)O)=O)CCC=N4)=O)=O)C(C)C
Compound: 3-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-2-[(1E,5E)-3,4,10-trihydroxyundeca-1,5-dienyl]benzaldehyde
SMILES: O=CC1=C(O)C=CC(=C1/C=C/C(O)C(O)/C=C/CCCC(O)C)CC(O)C(O)(C)C
Compound: Guanacastepene H
SMILES: O=C1C=2C(=O)N3CCO[C@]4(C5=C3C2[C@@](CC[C@@]5([C@@H](C(C)C)C4O)C)(C)CC1)O
Compound: Myxotrichin A
SMILES: O=C1C2=C(C(O)=C(O)C=C2OC3=C1CO[C@@](C3)(OCCCC)C)C(=O)O
Compound: Botryenalol
SMILES: O=C(O[C@@H]1[C@@H]2C(=C(C=O)[C@@H](C1)C)[C@](CO)(C)CC2(C)C)C
Compound: Iminimycin B
SMILES: S(C1=C2[N+](=CC=C1)[C@@H](/C=C/C=C/C(=C/C)/C)[C@H]3[C@@H]2C3)C[C@H](NC(=O)C)C(=O)O
Compound: Gymnastatin R
SMILES: ClC=1C(=O)[C@]2(Cl)[C@@H](O)[C@@H](NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C)C[C@@](C1)(O)C2
Compound: Stemphylanthranol B
SMILES: O=C1C2=C(O)C(C3=C4C(=O)C5=C([C@H](O)[C@@H](O)[C@]([C@@H]5O)(O)C)C(C4=C(O)C=C3OC)=O)=C(OC)C=C2C(=O)C=6C1=C(C(O)=C(C)C6)C7=C8C(=O)C9=C([C@H](O)[C@@H](O)[C@]([C@@H]9O)(O)C)C(C8=C(O)C=C7OC)=O
Compound: Penicillipyrone B
SMILES: O=C1C2=C(OC(=C1)C)O[C@@H]3[C@@]4([C@H](C(C(=O)CC4)(C)C)CC[C@H]3C2)C
Compound: Dithioaspergillazine A
SMILES: S1S[C@@H]2C=C[C@@H](O)[C@H]3[C@]2(O)C[C@@]1(NO3)C(=O)NC=4C(=O)OC=5C(OC)=C(OC)C=CC5C4
Compound: Jahnellamide A
SMILES: S(CC[C@@H]1NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)C3=CC=CC=C3)CNC(=O)[C@@H](CCC(=O)N)NC(\C(\NC([C@H](NC(C1=O)=O)C[C@H](O)C(=O)NCCO)=O)=C\C=4C5=C(C=CC=C5)NC4)=O)CCC2)C
Compound: Sterhirsutin K
SMILES: O=C1C(=C)[C@]2([C@H]3[C@H](C[C@@](C3)(C(=O)O)C)C[C@]2([C@H]1OC(=O)C4=C(O)C(=C(O)C=C4C)CC=C(C)C)OC)C
Compound: Bisorbibetanone
SMILES: O=C1/C(/C(=O)[C@]2([C@H]3\C(\C([C@]4([C@]1(O)[C@@]2(O[C@@]3(C4=O)C)O)C)=O)=C(\O)/C=C/C=C/C)C)=C(/O)\C=C\C=C\C
Compound: Anachelin 1
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C[N+](C=2C=C(O)C(=CC2C1)O)(C)C)CO)CO)[C@@H](NC(=O)C[C@H](O)CC(O)[C@H]3N=C(C4=C(O)C=CC=C4)OC3)[C@H](O)C
Compound: 5-sec-Butyl-2-isopropyl-3-methoxypyrazine
SMILES: O(C1=NC(=CN=C1C(C)C)[C@H](CC)C)C
Compound: Albatrelin D
SMILES: O1C2=C(O)C(=C3C=4C(=CC(=C(C4OC3=C2C=C[C@]1(CC/C=C(/CCC=C(C)C)\C)C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C)C
Compound: Sansanmycin M
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=CC=C5)[C@@H](N(C(=O)[C@H]6NCC=7C(O)=CC=CC7C6)C)C)/C[C@H]2O
Compound: 3,8,10-trihydroxy-4-methoxy-6-methylbenzocoumarin
SMILES: O=C1OC=2C3=C(O)C=C(O)C=C3C(C)=CC2C(=C1O)OC
Compound: GTRI-BB
SMILES: O=C1C2=C(O)C=C(C3=CC(O)=C4C(=O)C=5C6OC(=O)C[C@@H]6O[C@H](C5C(C4=C3)=O)C)C=C2C(=O)C7=C1[C@H](O)[C@H](CC(=O)OC)O[C@H]7C
Compound: Actinotetraose K
SMILES: O=C(O[C@H]1[C@H](OC(=O)/C(=C/C)/C)[C@@H](O)[C@H](O[C@H]2[C@H](O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]2O)O)O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O[C@@H]4O[C@@H]([C@@H](OC(=O)/C(=C/C)/C)[C@@H]([C@H]4O)O)CO)O)COC(=O)/C(=C/C)/C)O[C@@H]1CO)/C(=C/C)/CC
Compound: Lysobacteramide A
SMILES: O=C1NCCC[C@@H]2NC(=O)C(=C2O)C(=O)CC=CC=C[C@H]3[C@@H](C=CC=C1)C[C@@H]4C[C@H]([C@H]([C@H]34)C)CC
Compound: SQ-02-S-V1
SMILES: O=C1N(C(C(=O)O)C(C)C)CC2=C1C=C(O)C3=C2O[C@]45[C@]([C@H](CC[C@H]4C([C@@H](OC(=O)C)CC5)(C)C)C)(C)C3
Compound: Gloeophyllin G
SMILES: O=C1C2=C([C@]3(CC[C@@H]([C@]([C@@H]3C1)(C(=O)O)C)O)C)C[C@@H](OC(=O)C)[C@]4([C@@H]2CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C
Compound: (3S,4S)-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: Engyodontiumone D
SMILES: O=C1C2=C(OC3=C1[C@@H](C(=O)OC)[C@@H](O)[C@H](C3)O)C=C(C)C=C2O
Compound: Cochlearoid A
SMILES: O=C(OC)[C@@]12OC3=C4C(=C(O)C=C3)C=5C=C(O)C=C(C5O[C@]4(C1)[C@H](C(=C)C)CC2)C/C=C(\COC(=O)C)/CC/C=C(/CCC=C(C)C)\C
Compound: 4,6-dihydroxy-7-formyl-3-methylcoumarin
SMILES: O=C1OC2=C(C=C(O)C(=C2)C=O)C(=C1C)O
Compound: Strobilol D
SMILES: O1[C@@]2(O)[C@](O)([C@H]3[C@H](O)C(=CC[C@@H]3[C@H](C2)C)CO)C(C1)=C
Compound: Nocapyrone H
SMILES: O=C1OC(/C(=C/C)/C)=CC=C1CC(C)C
Compound: 11′-carboxygymnastatin N
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)/C=C/C(=C/[C@@H](CCCCCC(=O)O)C)/C
Compound: Chrondramide 15
SMILES: ClC1=C(O)C=CC(=C1)C2NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC([C@H]2O)=O)C)C)C)C)C)CC3=C(Cl)NC4=C3C=CC=C4
Compound: 4a,8-Dimethyl-4,4a,5,6,7,8-hexahydro-3H-
SMILES: O=C1C=C2C(CCC[C@@H]2C)(C)CC1
Compound: (5R,7S,8S)-Communiol B
SMILES: O=C(O)/C=C/C[C@@H]1CO[C@H](C1)[C@@H](O)CC
Compound: Chaetomugilin R
SMILES: ClC=1C(=O)[C@](O)([C@@H](O)[C@H]2C1C=C(OC2)/C=C/[C@@H]([C@@H](O)C)C)C
Compound: (E)-2-tridecylnonadec-2-enal
SMILES: O=C/C(=C/CCCCCCCCCCCCCCCC)/CCCCCCCCCCCCC
Compound: Dechloro-chaetomugilin A
SMILES: O=C1C=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@H]3[C@@]1(O[C@]4(O)[C@@H]([C@@H](C)OC([C@H]34)=O)C)C
Compound: Sulpinine C
SMILES: O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)([C@@]56O[C@@H]5[C@@H](O)[C@H](O[C@H]6CC4)C(=C)C)CC3)C)C)C=CC(=C2)C(C=C)(C)C
Compound: Roseoferin B3
SMILES: O=C(NC(C(=O)NC(CNCCO)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)C)C(CC)C)(C)C
Compound: Tricycloalternarene 5b
SMILES: O=C1C2=C(OC3(CCC(C3C2)/C(=C/CC=C(C)C)/C)C)CCC1OC
Compound: 3,6,2'-Tri-0-acetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose
SMILES: O=C(OC1C(OC(COC(=O)C)C(C1OC(=O)C)O)OC2OC(C(O)C(C2OC(=O)C)O)CO)CCCCCCCCCCCCCCCCC