MonarchInit/C3PO huggingface dataset:
Compound: Arylomycin B3
SMILES: O=[N+]([O-])C1=C(O)C=2C3=C(O)C=CC(=C3)C(N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCCCCC)C)CO)C)C)C(=O)N[C@H](C(NC(CC(=C1)C2)C(=O)O)=O)C
Compound: Balticol E
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@](C1)(O)CC(O)C
Compound: Spiroganocalitone D
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@]4([C@]3(C1)C)O[C@]5(OC(=O)[C@H](C5)C)C[C@H]4C)C)[C@@H](OC(=O)C)C[C@@H]6[C@@]2(CCC(C6(C)C)=O)C
Compound: Ganocasuarinone A
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(=O)C)C[C@@H]5O)C)C)C
Compound: Climacomontaninate B
SMILES: O=C(NCC(=O)OC)C1=NC=C(CCCC)C=C1
Compound: Truncatone D
SMILES: O=C1C2=C(O)C=CC3=C2[C@@H](C=4C=5C(=C(O)C=CC5)C(=CC34)O)[C@H](C1)O
Compound: 2-epi-lyngbyaloside
SMILES: BrC=CC=C[C@@H]1OC(=O)[C@@H]([C@]2(O[C@@H]([C@@H](C)[C@H](C=CC[C@@H](C1)C)O)C[C@H](C2)O[C@@H]3O[C@H]([C@H](OC)[C@H]([C@H]3OC)OC)C)O)C
Compound: Ganodecalone A
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](CC/C=C(/CO)\C)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Preubetaomerin D
SMILES: O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)C=C1)[C@@H](O)[C@@H]7[C@H]5O7)=CC=C2
Compound: Pyrenulic acid I
SMILES: O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@]([C@@H]1O)(O)[C@H]4[C@@H](CC(C)=CC4)[C@H]5[C@@]3(O5)C
Compound: Ganocasuarin A
SMILES: O=C1C([C@H]2[C@]([C@]3(O)C(=C4[C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@]4(O)C)(C)CC3)[C@@H](C2)O)(C)CC1)(C)C
Compound: Grincamycin D
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)C[C@@](O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H](C(=O)CC5)C)CC4)C)(CC(=O)O)C)[C@@H]6O[C@@H]([C@H]7O[C@@H]8O[C@@H](C)C(C[C@@H]8O[C@@H]7C6)=O)C
Compound: 5alpha, 6alpha;8alpha, 9alpha-diepoxy-(22E, 24R)-ergost-22-ene-3beta, 7alpha-diol
SMILES: O1[C@@]23[C@H](O)[C@@H]4O[C@@]54[C@@]([C@]13CC[C@]6([C@H]2CC[C@@H]6[C@@H](/C=C/[C@@H](C(C)C)C)C)C)(CC[C@@H](C5)O)C
Compound: Mullinamide A
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)NCC(N2[C@@H](C(N[C@H]1[C@H](CC)C)=O)CCC2)=O)CCC(=O)O)C(C)C
Compound: Ganocasuarin B
SMILES: O[C@@]12C(=C3[C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@]3(O)C)(C)CC1)[C@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Ganodecalone B
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](C/C=C/C(=O)C)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Pseurotin A4
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC([C@H](O)[C@@H](O)/C=C\CC)=C(C3=O)C)O
Compound: Ganorbiformin D
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)C[C@@H]4OC(=O)C)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: (2S)-2-[[(2S,4S)-4,5-diamino-2-hydroxypentanoyl]amino]-4-methylpentanamide
SMILES: O=C(N[C@H](C(=O)N)CC(C)C)[C@@H](O)C[C@H](N)CN
Compound: Lepistatin A
SMILES: ClC1=C(O)C(=C2CC(C(C2=C1C)=O)(C)C)C(=C)CO
Compound: Ganocasuarin C
SMILES: O=C1C=C2[C@@]3([C@H](C([C@@H](O)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1([C@@H](C(O)(CC(=O)CC(C(=O)O)C)C)CC5=O)C)C)C
Compound: Pseurotin A5
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13OC([C@H](O)[C@@H](O)/C=C\CC)=C(C3=O)C)O
Compound: Muraymycin B7
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](OC(=O)CCCCC(C)C)C(C)C)C(=O)O)[C@H]([C@H]2O)O
Compound: N-Acetyldaunomycin
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3OC4OC(C(O)C(C4)NC(=O)C)C)C(=C2C(=O)C=5C1=C(OC)C=CC5)O
Compound: Plakinamine D
SMILES: O=C1[C@@H](N(C)C)CC[C@]2(C1CC=C3C2CC[C@]4(C3CC[C@@H]4[C@@H](C/C=C\5/C(N(CCO)CC5)(C)C)C)C)C
Compound: Lepistatin B
SMILES: ClC1=C(O)C(=C2C[C@](C(C2=C1C)=O)(CO)C)C(=C)CO
Compound: Erinacerin U
SMILES: O=C1N(CC2=C1C=C(O)C(=C2O)C/C=C(/CC/C=C(/C(=O)O)\C)\C)CC=3OC(CO)=CC3
Compound: Ganocasuarin D
SMILES: O=C1C=C2[C@@]3([C@H](C([C@@H](OC(=O)C)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1([C@@H](C(O)(CC(=O)CC(C(=O)O)C)C)CC5=O)C)C)C
Compound: Variecolol
SMILES: O1[C@]2(O)[C@H]3[C@H](C[C@@]4(CC[C@@]5([C@@H]([C@H]4CC=C3C1)[C@H](C(=C)C)CC5)C)C)[C@@H](C2)C
Compound: Drechslerine D
SMILES: O=C1OC[C@@H]2[C@H]1[C@@H]3C(=C)[C@]2(CC[C@@H]3C(O)(C)C)C
Compound: Aspergiloid B
SMILES: O=C1C2=C(C=3C=CC(=C4C3[C@@]1(OC[C@H]4OC)OC)C)CCCC2(C)C
Compound: Lepistatin C
SMILES: ClC1=C(O)C(=C2CC(C(C2=C1C)=O)(C)C)C(CO)CO
Compound: Leptothiazinone A
SMILES: S1C2=C(NC(C1)=O)C(O)=CC(=C2)CCO
Compound: Citreamicin theta B
SMILES: O=C1N2[C@@](OC([C@@]2(CO)C)=O)(CC=3C1=C(O)C=4C5=C6OC7=C(C(O)=C(OC)C=C7)C(C6=C(O)C(=C5CCC4C3)O)=O)C
Compound: Ganocasuarin E
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(O)(CC(=O)CC(C(=O)O)C)C)CC5=O)C)C)C
Compound: Simplicildone I
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC4=C(OC5=CC(O)=CC(=C5)C)C=C(C)C=C4O)O)C
Compound: (6E)-8,11-Dihydroxy-8-(hydroxymethyl)-5-(1-methylethyl)undec-6-en-2-one
SMILES: O=C(CCC(/C=C/C(O)(CO)CCCO)C(C)C)C
Compound: (1S)-(3-Ethenylphenyl)-1,2-ethanediol
SMILES: O[C@@H](C1=CC(=CC=C1)C=C)CO
Compound: Leptothiazinone B
SMILES: S1C2=C(NCC1=O)C(O)=CC(=C2)CCO
Compound: Tricycloalternarene J
SMILES: O=C1C2=C(O[C@@]3([C@@H](C=C(CCC=C(C)C)C)CO[C@H]3C2)C)CC[C@H]1O
Compound: Ganocasuarin F
SMILES: O=C1C=C2[C@@]3([C@H]([C@](C(=O)CC3)(CO)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1([C@@H](/C(=C/C(=O)CC(C(=O)C)C)/C)CC5=O)C)C)C
Compound: (4R,8R)-8,14,16-trihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,10-dione
SMILES: O=C1O[C@@H](CCC[C@@H](O)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Simplicildone B
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COCC)O)C
Compound: Versiconol B
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=CC3)[C@@H](CO)CCO
Compound: Aspereline H
SMILES: O=C(N1[C@@H](CCC1)COC(=O)C)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C)(C)C)(C)C)C(C)C)(C)C)C(CC)C)(C)C)(C)C)C)(C)C
Compound: Secopenicillide B
SMILES: O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC(=O)C)CC(C)C
Compound: Simplicildone G
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COC[C@@H]4C(=O)CC[C@H]4C)O)C
Compound: Lactarorufin  D
SMILES: O=C1OCC2=C1[C@H](O)[C@@H]([C@H]3CC(C[C@H]3[C@@H]2O)(C)C)C
Compound: (24E)-15alpha,26-dihydroxy-3-oxolanosta-8,24-diene
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@@H]4O)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Oxisterigmatocystin I
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3)C4=C(O[C@@H]5[C@H]4C[C@@H](OC)O5)C=C2OC
Compound: 4-Hydroxysattabacin
SMILES: O=C([C@@H](O)CC1=CC=C(O)C=C1)CC(C)C
Compound: Nosokomycin A
SMILES: P(=O)(O[C@H]1O[C@H](C(=O)N)[C@](O)(C)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)[C@@H]([C@H]3NC(=O)C)O)C)[C@@H]([C@H]2NC(=O)C)O)CO[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)OC(=O)N)(OC[C@@H](OC/C=C(\C/C=C/CC(CCC(=C)C/C=C(/CCC=C(C)C)\C)(C)C)/C)C(=O)O)O
Compound: Simplicildone C
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC4=C3COC(O4)(C)C)C
Compound: Quinocinnolinomycin B
SMILES: O=C1C2=NN=C(C=C[C@H](O)CCCCCCCCCCC)C=C2C(=O)C=C1NC
Compound: (24E)-7alpha,26-dihydroxy-3-oxolanosta-8,24-diene
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)CC4)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Hericinoid A
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H]([C@]56O[C@@]5(C(C)C)CC[C@]6(C)CC4)CC=C7[C@H]3[C@@]2(O)[C@@H](O)[C@@](C1)(O)[C@@H]7O)C
Compound: Vellerol
SMILES: O=CC=1C(=C[C@@H]2CC(C)(C)C[C@@H]2[C@H](C1)C)CO
Compound: Saccharosacrin A
SMILES: O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)OC%10OC(C(O)CC%10)C)C)C(C7)O)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CC
Compound: Simplicildone D
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC4=C(O)C=C(OC)C=C4C)O)C
Compound: (+)-cochlearol B
SMILES: O=CC1=C[C@]23C4=C(O[C@@]5([C@]2([C@@H](CC5)C3(C)C)CC1)C)C=CC(=C4)O
Compound: Collacyclumin A
SMILES: O=C1C(=C(C2=NC(C)(C)C(=C2)C(=O)C)NC1(C)C)C
Compound: Hericinoid B
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)CC[C@]5(C)CC4)CC=C6[C@H]3[C@@]2(O)[C@H]7O[C@@H]6O[C@]7(C1)OC)C
Compound: Carquinostatin B
SMILES: O=C1C(=O)C2=C(NC3=C2C=C(CC=C(C)C)C=C3)C(=C1C)[C@H](O)[C@H](O)C
Compound: Desferrioxamine X4
SMILES: O=C1N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCCNC(CCC(N(CCCCCCNC(CC1)=O)O)=O)=O
Compound: Simplicildone E
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC4=C(OC)C=C(O)C=C4C)O)C
Compound: Collacyclumin B
SMILES: O=C(NC(CC(=O)C)(C)C)C(=O)NC(CC(=O)C)(C)C
Compound: Pseudomycin C
SMILES: ClCC(O)C1NC(=O)C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(C(NC(C(NC(C(COC1=O)NC(=O)CC(O)C(O)CCCCCCCCCCCC)=O)CCN)=O)CC(=O)O)=O)CCCCN)CCN)C(O)C)=C\C)C(O)C(=O)O
Compound: Hericinoid C
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H]([C@]56O[C@@]5(C(C)C)CC[C@]6(C)CC4)CC=C7[C@H]3[C@@]2(O)[C@H]8O[C@@H]7O[C@]8(C1)O)C
Compound: Prototenellin A
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C(=C/C=C/C(=C/C)/C)/C)=O
Compound: TAN-1496 E
SMILES: S1SS[C@]23N([C@@H]4C[C@@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C2)OC(=O)C)OC(=O)C)C([C@@](S1)(N(C)C3=O)CO)=O
Compound: Simplicildone F
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC=4C(O)=C(C(=O)C(C4C)=O)C)O)C
Compound: Collacyclumine C
SMILES: O=C1C(=C2NC(C)(C)C(C2=NC1(C)C)=O)C
Compound: (3S,6R)-6-(para-hydroxybenzyl)-1,4-dimethyl-3,6-bis(methylthio)piperazine-2,5-dione
SMILES: S([C@]1(N(C(=O)[C@H](SC)N(C1=O)C)C)CC2=CC=C(O)C=C2)C
Compound: Plectosphaeroic acid A
SMILES: S([C@@]1(N(C(=O)[C@@]2(SC)[C@@H](O)[C@]3([C@@H](N2C1=O)N(C4=C(C=5N=C6C(=C(N)C(=O)C=C6OC5C=C4)C(=O)O)C(=O)O)C=7C=CC=CC37)C=8C9=C(C=CC=C9)NC8)C)CO)C
Compound: Isochromophilone IX
SMILES: ClC1=C2C(C(=O)[C@](C1=O)(OC(=O)C)C)=CN(CCCC(=O)O)C(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: (3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-2-one
SMILES: O=C1O[C@@H]2C(=C[C@@H]([C@H]([C@@H]2O1)O)O)C
Compound: Simplicildone H
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COCC4=C5OC6=C(C(=C(O)C=C6C)C)OC(C5=C(C)C=C4O)=O)O)C
Compound: Dehydroxymethylbis(dethio)bis(methylthio)gliotoxin
SMILES: S([C@@]12N(C(=O)[C@@H](SC)N(C1=O)C)[C@@H]3[C@@H](O)C=CC=C3C2)C
Compound: Collacyclumine D
SMILES: O=C1N2C(=CC(=C1C)O)C=C(C)C(C2(C)C)=O
Compound: Communiol H
SMILES: O=C1O[C@H]([C@@H](O)CC)C[C@H]1C/C=C/C=O
Compound: 2,2',7,7'-Tetrachlorohypericin
SMILES: ClC=1C(=O)C2=C(O)C3=C(O)C(Cl)=C(O)C=4C3=C5C2=C(C1C)C=6C7=C(C(=O)C=8C(=C57)C4C(O)=C(Cl)C8O)C(O)=C(C6C)Cl
Compound: Parnafungin D
SMILES: O=C1C2=C(O)C3=C(OC)C=4C5=C6N(OC(C6=CC=C5)=O)CC4C=C3OC2(C(=O)OC)[C@@H](O)[C@@H]7[C@H]1O7
Compound: 21,22-en-9-hydroxybafilomycin D
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C([C@@H](O)[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H](C(=O)C/C=C(/[C@H](O)C(C)C)\C)C)C
Compound: Streptolactone
SMILES: O=C1OC2=C(O)C(=C(C(=O)CCC)C=C2C=3C1=C(O)C=CC3)C
Compound: Bipolenin G
SMILES: O=CC1=C([C@@]2(C[C@H]([C@@H]([C@H]1C2CO)C(C)C)O)C)C
Compound: Laurencia obtusa
SMILES: BrC1(C(Cl)C[C@@]2(C([C@H](Br)[C@H](O)C[C@]23OC3)(C)C)CC1)C
Compound: Monascuskaodione
SMILES: O=C1C=C2C(=COC(=C2)/C=C/C)[C@H]3[C@]1(OC(=O)[C@@H]3C(=O)CCCCCCCC)C
Compound: CRM646-B
SMILES: O=C(OC1=CC(O)=C(C(=O)O)C(=C1)C)C2=C(O)C=C(O[C@@H]3O[C@H](C(=O)OC)[C@@H](O)[C@@H]([C@H]3O)O)C=C2CCCCCCCCCCCCCCC
Compound: Streptopertusacin A
SMILES: S(C1=C2[N+](=CC=C1)[C@@H](/C=C(/C=C/C3CC3)\C)[C@@H]([C@]2(O)C)O)C[C@H](NC(=O)C)C(=O)O
Compound: Abybetaomicin Y
SMILES: O=C1C2=C[C@H]3[C@H](O)[C@H]4O[C@]25[C@]3(OC([C@@H]5[C@@]6(O[C@]1(C[C@@H]6C)C)O)=O)C[C@@H]4C
Compound: Bipolenin H
SMILES: O=C(OCC1[C@@]2(C(C)=C([C@H]1[C@@H](C(C)C)CC2)C=O)C)C(O)C
Compound: 21,22-en-bafilomycin D
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H](C(=O)C/C=C(/[C@H](O)C(C)C)\C)C)C
Compound: Pentanedioic acid 2-(1-methylethenyl)-5-methyl ester
SMILES: O=C(O)[C@H](C(=C)C)CCC(=O)OC
Compound: Mycinamicin XVI
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(O)[C@@H](C[C@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](CC(C2O)N(C)C)C)C)C)CO[C@@H]3OC([C@H](O)[C@@H]([C@@H]3OC)OC)C)CC
Compound: Phomodiol
SMILES: O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1C)C[C@H](C)CC2)C)C(O)CO
Compound: Abybetaomycin Z
SMILES: S(C1[C@@H]2C(=O)[C@](O)(C[C@@H](C)C(=C3[C@@]24O[C@H]5C(C1[C@]4(OC3=O)CC5C)O)O)C)C[C@](NC(=O)C6=NC=CC=C6O)(C(=O)O)C
Compound: Aspereusin B
SMILES: O=C1C(=C(C)CC1)CO[C@@H]2OC[C@H]([C@H]2C)C(=O)C
Compound: 2R, 3R-dioxeto-Cyclo-(L-Trp-L-Phe)
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC2=CC=CC=C2)CC34OO[C@H]3NC5=C4C=CC=C5
Compound: ST906
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H]([C@@H](C=CC=4C5=C1C=C(C)C(=C5OC4)O)O)C)C)O[C@@H]([C@@H](C)CC3)CC
Compound: (-)-versicolamide B
SMILES: O=C1N2[C@]3(C(=O)N[C@]14[C@H](C(C)(C)[C@@]5(C4)C(=O)NC6=C5C=CC7=C6C=CC(O7)(C)C)C3)CCC2
Compound: 2-Isopropyl-5-isobutylpyrazine
SMILES: N1=C(C=NC(=C1)CC(C)C)C(C)C
Compound: (R)-desferri-ferrithiocinmethylester
SMILES: S1C(=N[C@@](C1)(C(=O)OCCC2=CC=C(O)C=C2)C)C3=NC=CC=C3O
Compound: 9-methylstreptimidone
SMILES: O=C1NC(=O)CC(C1)C[C@@H](O)CC(=O)[C@H](/C=C(/C=C\C)\C)C
Compound: Epiaspereusin A
SMILES: O=C(O)/C=C(/OC)\[C@@H]1[C@H]([C@@](OC)(C)OC1)C
Compound: 14,15-dihydroxyirpexan
SMILES: O1[C@@H](OC(C(O)(CC/C=C(/CCC=C(C)C)\C)C)CCC(O)C(O)(CC/C=C(/CCC=C(C)C)\C)C)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Allantopyrone A
SMILES: O=C1OC(=C(CO)C(=C1COC(=O)/C=C\C=C\C)OC)/C=C/CO
Compound: N-(3-acetamidopropyl)-4-hydroxy-3-methoxybenzamide
SMILES: O=C(NCCCNC(=O)C)C1=CC(OC)=C(O)C=C1
Compound: Streptomethiocin A
SMILES: S(C(=O)C1=NC=CC=C1O)C[C@](NC(=O)C2=NC=CC=C2O)(C(=O)O)C
Compound: Actinopyrone D
SMILES: O=C1C(=C(OC(=C1C)/C=C\C(C/C=C/C(=C/C(C(O)/C(=C/C)/C)C)/C)C)OC)C
Compound: Aspereusin A
SMILES: O=C(O)/C=C(/OC)\[C@H]1[C@H]([C@@](OC)(C)OC1)C
Compound: (8S,9S)-1,9-dihydroxy-8-(2-hydroxypropan-2-yl)-4-methoxy-5-methyl-1,7,8,9-tetrahydrouro[3,4-]chromen-3-one
SMILES: O=C1OC(O)C=2C1=C(OC)C(=C3OC[C@@H]([C@@H](C23)O)C(O)(C)C)C
Compound: 4,5-Dihydroxy-2-propenylcyclopent-2-enone
SMILES: O=C1C(=CC([C@@H]1O)O)/C=C/C
Compound: Streptomethiocin B
SMILES: S(SC[C@](NC(=O)C1=NC=CC=C1O)(C(=O)O)C)C[C@](NC(=O)C2=NC=CC=C2O)(C(=O)O)C
Compound: N-(3-acetamidopropyl)-3-hydroxy-4-methoxybenzamide
SMILES: O=C(NCCCNC(=O)C)C1=CC(O)=C(OC)C=C1
Compound: Deschloro 12-epi-fischerindole I nitrile
SMILES: N#CC1=C2C=3C4=C(C=CC=C4)NC3C([C@H]2CC[C@]1(C=C)C)(C)C
Compound: 3-[(1S,2S,4aR,6S,8aS)-6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid
SMILES: O=C(O)CC[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@](O)(C)CC2
Compound: 16-oxonapyradiomycin A2
SMILES: Cl[C@@]12C(=O)C3=C(O)C=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC(=O)C(=C)C)C)=O
Compound: 5,12-dihydroxysterpurene
SMILES: O[C@@H]1[C@@]2([C@@H](C(=C3CC(C[C@H]3C2)(C)C)CO)C1)C
Compound: Sterostrein S
SMILES: O=C1C(=C([C@@](O)(C)[C@@H]2[C@H]1[C@@H](O)C(C)(C)C2)CCO)C
Compound: Divanchrobactin
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)O)COC(=O)[C@@H](NC(=O)[C@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCN=C(N)N)CO)CCCN=C(N)N)C2=C(O)C(O)=CC=C2
Compound: Asterreusin A
SMILES: O=C1O[C@@H](C[C@H](C1)O)CC[C@@H]2C3C(=C[C@H]([C@@H]2C)OC)C[C@H](C)CC3
Compound: Ganoluciduone A
SMILES: O=C1C2=C([C@@]3([C@@H](O)CC([C@]3(C1)C)=O)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Cyanogriside H
SMILES: O1[C@@H](OC2=CC(=NC(=C2)/C=N\O)C3=NC=CC=C3)[C@H](OC)[C@H](O)[C@H]([C@@H]1C)OC
Compound: Gargalol C
SMILES: O=C1C2=C([C@@]3(CCC(C[C@]43[C@@H]1O4)O)C)CCC5(C2(O)CCC5C(C=CC(C(C)C)C)C)C
Compound: Sterostrein W
SMILES: O=C1C2=C(C=C3CC(CC3=C2C)(C)C)[C@@H](OCCCC)OC1
Compound: Antrocinnamomin C
SMILES: O=C1OC(=O)C(=C1C2=CC=C(O)C=C2)CC(C)C
Compound: Ganoluciduone B
SMILES: O=C(/C=C/C[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)CC1)C)C)C
Compound: Aspereusin D
SMILES: O=C1[C@@]([C@H](C)CC1)(CO)CC2=C(OC)C=C(OC)C=C2C
Compound: NK13650B
SMILES: O=C1NC(C(=O)NC1=CC2=CC(OCCC(NC(=O)CC(O)(C(=O)O)CC(=O)O)C(=O)O)=C(O)C=C2)CCCN=C(N)N
Compound: Metatacarboline A
SMILES: O=C(O)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: Sphecoline G
SMILES: O=C1NC(=C2NC3=C(C2=C1)C=CC=C3)C(=O)C
Compound: Trisorbicillinone C
SMILES: O=C1C(C(=O)[C@]2([C@H]3C(C(O)=C(C([C@]3(O[C@]2([C@]1(O)C)O)C)=O)C)=C(O)/C=C/[C@H]4[C@@]5(C(=O)C(=C(O)/C=C/C=C/C)[C@H]([C@@H]4C)[C@@](C5=O)(O)C)C)C)=C(O)/C=C/C=C/C
Compound: Aspereusin C
SMILES: O=C1[C@@]([C@H](C)CC1)(CO)CC2=C(OC)C=C(O)C=C2C
Compound: Ganolucidoid A
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)C(=O)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Fluostatin C
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](O)[C@H]5[C@@]1(O5)C
Compound: Sphecoline A
SMILES: O=C1NC(=C2NC3=C(C2=C1)C=CC=C3)[C@@H](O)C
Compound: Viridiol
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@]4([C@H](O)[C@H](OC)[C@@H](C=5C4=C1OC5)O)C
Compound: 5-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-1,2,3-trimethoxybenzene
SMILES: O(C1=C(OC)C=C(/C=C(\[N+]#[C-])/C(/[N+]#[C-])=C/C2=CC=C(OC)C=C2)C=C1OC)C
Compound: Aspereusin E
SMILES: O=C(OC)CCC(=O)/C=C/[C@@H](C(C)C)CCC(=O)C
Compound: Ganolucidoid B
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)C(=O)C)C
Compound: Sphecoline B
SMILES: O=C(OC)C1=NC(=C2NC3=C(C2=C1)C=C(O)C=C3)[C@@H](O)C
Compound: Monoacyldiglycosyl-monoacylglycerol
SMILES: O=C(OCC1OC(OCC(O)COC(=O)CCCCCCCCCCCCCCC)C(O)C(C1O)OC2OC(C(O)C(C2O)O)CO)CCCCCCCCCCCCCCC
Compound: (32R,33R,34S)-35-O-propionyl bacteriohopanetetrol acetate
SMILES: O=C(OC[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)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)CC
Compound: Phellifuropyranone A
SMILES: O=C1OC(=CC2=C1C=C(C3=CC(O)=C(O)C=C3)O2)/C=C/C4=CC(O)=C(O)C=C4
Compound: Amestolkolide B
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: (24S, 25R)-25-methoxylanosta-7,9(11)-dien-3beta,24,26-triol
SMILES: O([C@@]([C@@H](O)CC[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)CC1)C)C)(CO)C)C
Compound: Sphecoline D
SMILES: O=C(C1=NC(OC)=CC2=C1NC=3C=CC=CC23)C
Compound: 15-deoxyoxalicine B
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@]4(C(=CC[C@@H]5[C@@]4(CC[C@]([C@]56COC(=O)CC6)(O)C(=C)C)C)C)O3
Compound: Lystabactin A
SMILES: O=C(NCCCC[C@H](N)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CCCN(O)C=O)CC(=O)N)CCCN(O)C=O)CO)C1=C(O)C(O)=CC=C1
Compound: Monaspiloindole
SMILES: O=C(OCCC=1C2=C(C=CC=C2)NC1)CC3=CC=CC=C3
Compound: Amestolkolide C
SMILES: O=C1C=C2C(CC(=O)OC2(C)C)=C([C@H]3[C@]1([C@@H]4C(=O)[C@H](O[C@H]5[C@@H]4[C@@](C(=O)O5)(C)C3)C)C)COC(=O)C
Compound: 26,27-dihydroxy-24,25-epoxylanosta-7,9(11)-dien-3-one
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC5OC5(CO)CO)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Sphecoline E
SMILES: O=C1NC(=C2NC3=C(C2=C1)C=C(O)C=C3)C(=O)C
Compound: Pseudodestruxin B
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)CC(C)C)C
Compound: Neoantimycin
SMILES: O=C1O[C@H](C(=O)O[C@H]([C@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)O[C@H](C(O[C@@H]([C@@H](C1(C)C)O)CC3=CC=CC=C3)=O)C(C)C)C)[C@H](CC)C
Compound: Xylarianaphthol-1
SMILES: O1C=2C3=C(O)C=CC=C3C=CC2C4=C1C=C(O)C=5C4=CC=CC5OC
Compound: Amestolkolide D
SMILES: O=C1C=C2C(CC(=O)OC2(C)C)=C([C@H]3[C@]1([C@@H]4C(=O)[C@H](O[C@H]5[C@@H]4[C@@](C(=O)O5)(C)C3)C)C)COC(=O)CC(C)C
Compound: Peniciaculin A
SMILES: O(C1=CC(OCC2=CC(O)=C([C@@](O)(CCCC(C)C)C)C=C2)=CC(=C1)C)C3=CC(O)=CC(=C3)C
Compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-isopropyl-2,5-diketopiperazine
SMILES: O=C1N[C@@H](C(=O)N[C@@H]1C(C)C)CC2=CC=3OCOC3C=C2
Compound: Sphecoline F
SMILES: O=C1NC(=C2NC3=C(C2=C1)C=C(OC)C=C3)C(=O)C
Compound: 3beta-hydroxy-12beta-acetoxy-7,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)/C(=C/C(=O)CC(C(=O)OC)C)/C)C
Compound: 5-(1,3-butadiene-1-yl)-3-(propene-1-yl)-2-(5H)-furanone
SMILES: O=C1O[C@@H](/C=C/C=C)C=C1/C=C/C
Compound: Cytochalasin Z24
SMILES: O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@@H]1C)C)CC4=CC=C(O)C=C4)C
Compound: Amestolkolide A
SMILES: O=C1OC(C2=C[C@@H]3OC=4[C@H](O[C@H]5[C@H]6C4C3[C@H]([C@]7(C2=C1)OC7)C[C@]6(C(=O)O5)C)C)(C)C
Compound: Sphecoline C
SMILES: O=C(OC)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)[C@@H](O)C
Compound: Paraphaeosphaeride A
SMILES: S1C=C(N2C(=O)C3=C([C@H]2C1)O[C@H]([C@@](O)(C)C3=O)CCCCC)C(=O)O
Compound: Eremoxylarin A
SMILES: O=C1C=C2[C@]([C@@H](C(=O)O)CC[C@H]2OC(=O)/C=C/C(=C/C(CC(CC)C)C)/C)(C)C[C@@H]1C(C=O)=C
Compound: 15alpha-hydroxy-3,11,23-trioxolanosta-8,20E(22)-dien-26-oic acid methyl ester
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)/C(=C/C(=O)CC(C(=O)OC)C)/C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Donacinolide A
SMILES: O=C1O[C@@]2(OC[C@]3(C2)C4C(=C)CCC3C4)C=C1C
Compound: Cordyceamide A
SMILES: O=C(N[C@H](C(=O)N[C@H](COC(=O)C)CC1=CC=CC=C1)CC2=CC=C(O)C=C2)C3=CC=CC=C3
Compound: Xylariaopyrone A
SMILES: O=C1OC(C(=O)CCCCCC)=CC(=C1)OC
Compound: Dictyofuran D
SMILES: O=CC1=C2C(OC(=C2)C)=C(O)C=C1
Compound: Peaurantiogriseol E
SMILES: O=C1[C@]2([C@@](OCC1)(C=C[C@@H]3[C@H]2CC[C@H](C3)CO)C)C
Compound: Donacinolide B
SMILES: O=C1O[C@]2(OC[C@]3(C2)C4C(=C)CCC3C4)C=C1C
Compound: Kobutimycin B
SMILES: O=C(OC(/C=C\1/C=C(C)C=2C13OC3CCN2)C(OC(=O)C)C)C(CC)C
Compound: Periconiasin C
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3CC(C)=CCC(C1)=O)C)CC(C)C
Compound: Xylariaopyrone B
SMILES: O=C1O[C@@H](C(=O)CCCCCC)CC(=C1)OC
Compound: Donacinoic acid A
SMILES: O=C(O)/C(=C/[C@H]1O[C@H]2O[C@@]3(CC[C@@H]4[C@@]2(C1)[C@H]3C4)C)/C
Compound: Dictyosporone A
SMILES: O=C1C(=C(/C=C/C)C[C@H](C1)O)COC(=O)C
Compound: Xeromphalinone E
SMILES: O=C1[C@@](O)([C@@]2(C(=O)O)[C@H]3[C@H](CC(C3)(C)C)C[C@]42[C@@H]1O4)CCC5=C6[C@@](O)(C[C@@H]7[C@H]6CC(C)(C)C7)CC5=O
Compound: Neocyclocitrinol C
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C/[C@@H](O)[C@@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: (4S)-4,10-dihydroxydodec-2-en-1,4-olide
SMILES: O=C1O[C@@H](CCCCCC(O)CC)C=C1
Compound: Xylariaopyrone C
SMILES: O=C1OC(=CC(=C1)OC)[C@]2(O[C@H](CCC)CC2)OC
Compound: Donacinoic acid B
SMILES: O=C(O)/C(=C/[C@@H](O)C[C@]1(C2C(=C)C(O)CC1C2)C)/C
Compound: Xylariolide E
SMILES: O=C1OC(=C(C[C@@H](O)CC)C=C1)C
Compound: AT2433-A2
SMILES: ClC1=C2N(C=3C=4NC=5C=CC=CC5C4C6=C(C3C2=CC=C1)C(=O)N(C)C6=O)C7OC(C(OC)C(C7O)O)COC8OCC(N)C(C8)O
Compound: Xylariaopyrone D
SMILES: O=C1OC(=CC(=C1)OC)[C@@]2(O[C@H](CCC)CC2)OC
Compound: 18-O-b-D-Glucopyranosyl-18S-hydroxyneodihydroprotolichesterinate21-O-b-D-glucopyranoside
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)[C@@H]([C@H]1C)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO
Compound: 3,8-dihydroxy-3-methylisochroman-1-one
SMILES: O=C1O[C@](O)(CC=2C1=C(O)C=CC2)C
Compound: Donacinol A
SMILES: O[C@]12C(=C)CC[C@@H]([C@H]1C=C(CO)CC2)C(C)C
Compound: Ammosamide D
SMILES: ClC1=C(N)C2=NC(C(=O)N)=CC(=C2C(C1=O)=O)C(=O)NC
Compound: Xylariolide F
SMILES: O=C1OC(=C(CC[C@@H](O)C)C=C1)C
Compound: (24Z)-3beta,27-dihydroxylanosta-7,9(11),24-triene
SMILES: O[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC/C=C(\CO)/C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Pulveraven B
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: Dictyosporin A
SMILES: O1[C@]2(C(=C)C)[C@@H](O)C[C@]3([C@H]([C@@]1(C=CC3)CO)C2)C
Compound: Donacinol B
SMILES: O[C@]12[C@@H](C=C(CO)CC1)[C@@H](C(C)C)CC[C@H]2C
Compound: 3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid
SMILES: O=C(O)[C@]1([C@@]2(O)[C@@]([C@@H]3[C@](O)([C@@H](C(=C)CC3)C=C)CC2)(CC[C@H]1O)C)C
Compound: Ganoboninketal E
SMILES: O=C1C2=C(C(=O)C[C@H]([C@@]2(CCC(=O)O)C)C(=C)C)[C@@]3(CC[C@H]4[C@]3(C1)CO[C@]5(CC)O[C@]4(CC5)C)C
Compound: Thielavin L
SMILES: O=C(OC1=C(C(O)=C(C(=O)OC[C@@H](O)CO)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: AnhydroSEK4b
SMILES: O=C1OC(=CC(=C1)O)CC=2OC3=C(C(=CC(=C3)O)C)C(C2)=O
Compound: 1R,4S,5S,7R,10R)-10-Hydroxyguaianol 10-O-Bmannopyranoside
SMILES: O1[C@@H](O[C@]2([C@H]3[C@H]([C@@H](C)CC3)C[C@@H](CC2)C(=C)C)C)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Donacinol C
SMILES: OCC1=C2[C@H](C=C(CO)CC2)[C@@H](C(C)C)CC1
Compound: Dictyosporin B
SMILES: O=C1C[C@@]2([C@H]3C[C@@](O[C@]3(C1)C)(C(=C)C)[C@H](C2)O)C
Compound: Ganoboninketal F
SMILES: O=C1C2=C(C(=O)C[C@H]([C@@]2(CCC(=O)O)C)C3(OC3)C)[C@@]4(CC[C@H]5[C@]4(C1)CO[C@]6(CC)O[C@]5(CC6)C)C
Compound: Trichocladinol F
SMILES: O=C1O[C@@]2(O[C@H]3[C@@]1([C@@H](CC[C@@H]3O)C)[C@H]2O)C
Compound: Thiazomycin A
SMILES: S1C/2=NC(=C1)C(=O)N[C@@H]3C=4SC=C(N4)C(=O)N[C@H](C=5SC=C(C6=C(C7=NC(C(N[C@H](C(N\C2=C(\OC)/C)=O)[C@H](O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10CO[C@@H]3[C@H](O[C@@H]%11O[C@H]([C@H]%12N(C)C(O[C@]%12(C%11)C)C)C)C(=O)OCC%13=C%10C(=CC=C%13)N9O)=O
Compound: (Z)-4-Hydroxy-3-(3-hydroxy-3-methylbut-1-en-1-yl)-benzoic acid
SMILES: O=C(O)C1=CC(=C(O)C=C1)/C=C\C(O)(C)C
Compound: 5-Chloro-6,8,10-trihydroxy-l-methoxy-3-methyl-9(10H)-anthracenon
SMILES: ClC1=C(O)C=C(O)C2=C1[C@@H](O)C=3C=C(C)C=C(C3C2=O)OC
Compound: Dictyosporin C
SMILES: O=C1[C@@H]([C@H]2[C@@](CC[C@](C2)(O)C(=C)C)(C)CC1)C
Compound: Argyrin A
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(N[C@@H]2C)=O)C)=O)=C)=O)C)CC=3C4=C(OC)C=CC=C4NC3)CC=5C6=C(C=CC=C6)NC5
Compound: Ganoboninone G
SMILES: O=C1C2=C(C(=O)C[C@H]([C@@]2(CCC(=O)O)C)C(=C)C)[C@@]3(CC[C@H]4[C@]3(C1)CO[C@@]4(CCC(=O)CC)C)C
Compound: Beta-pisosterol
SMILES: O=C(O[C@@H]([C@@H](O)C(=C)C(C)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)C
Compound: Dihydrospiciferone A
SMILES: O=C1C2=C(OC(=C1C)C)[C@@](C(=O)CC2)(CC)C
Compound: Kojic acid dimethyl ether
SMILES: O=C1C(OC)=COC(=C1)COC
Compound: Ganoboninone H
SMILES: O=C1C2=C([C@@]3(CC[C@H]4[C@]3(C1)CO[C@@]4(CCC(=O)CC)C)C)[C@@H](OC(=O)C)C[C@H]([C@@]2(CCC(=O)O)C)C(=C)C
Compound: Dictyosporin D
SMILES: O=C1C(=C2C=C(C(=C)C)CC[C@H]2[C@H](C1)C)C(C)C
Compound: Blazeispirol F
SMILES: O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(O)C=C5)C)CC4)CC3)C)C
Compound: Colomitide C
SMILES: O=C([C@@H]1[C@@H]2[C@H]([C@](C)(OC1)OC2)C)CCC
Compound: Ganoderic acid-AM1
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C
Compound: Anhydroisocochlioquinone A
SMILES: O=C1C=2O[C@]3(C([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)=CC2C(=O)C=C1[C@@H]([C@H](OC(=O)C)[C@H](CC)C)C)C
Compound: Dictyophthalide A
SMILES: O=C1O[C@@](OC)([C@H](O)C)C2=C1C=CC(=C2O)O
Compound: Fradcarbazole A
SMILES: S1C(=NC=C1C=2C3=C(C=CC=C3)NC2)N([C@H]4[C@@H](OC)[C@@]5(O[C@H](C4)N6C=7C(=C8C(=O)NCC8=C9C7N5C%10=C9C=CC=C%10)C%11=C6C=CC=C%11)C)C
Compound: Palmarumycin CE4
SMILES: O=C1[C@H]2[C@@H](O)C=C[C@@H]3[C@H]2C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@H](C1)O3
Compound: (1S,2S)-3-oxo-2-pentylcyclopentane-1-octanoic acid methyl ester
SMILES: O=C1[C@H]([C@@H](CCCCCCCC(=O)OC)CC1)CCCCC
Compound: Colomitide D
SMILES: O=C(C1=CO[C@@H](C)[C@@H]([C@@H]1CO)C)[C@H](CC)C
Compound: 1,3,4,4-Tetrabromo-but-3-en-2-one
SMILES: BrC(Br)=C(Br)C(=O)CBr
Compound: Dictyofuran A
SMILES: O=C1C2=C(OC(=C2)C)C[C@@H]([C@H]1O)O
Compound: VLP S
SMILES: O=C1OC(=CC(=C1C)OC)CCCCCCC
Compound: ((6Z)-Adda3)Nodularin
SMILES: O=C/1N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C(=O)NC(/C=C/C(=C\[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)[C@@H](C(N[C@H](CCC(N(\C1=C/C)C)=O)C(=O)O)=O)C)CCCN=C(N)N)C
Compound: (E)-ethyl 8-oxohexadec-9-enoate
SMILES: O=C(OCC)CCCCCCC(=O)/C=C/CCCCCC
Compound: Cadopherone A
SMILES: O=C1O[C@H]([C@H](C)[C@H]2C1=C(OC2)C(CC)C)C
Compound: 6-hydroxymetatacarboline F
SMILES: O=C(N[C@H](C(=O)O)C(C)C)C1=NC(=C2NC3=C(C2=C1)C=C(O)C=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: Dehydrotumulosic acid
SMILES: O=C(O)[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Compound: Dictyofuran B
SMILES: O=C1C=2OC(C)=CC2[C@H](CO)CC1
Compound: VLP Q
SMILES: O=C1OC(=CC(=C1C)OC)CCCC(C)C
Compound: Zafrin
SMILES: O=C1C=2C(=CC=C1)[C@@]3(C(CCCC3)=CC2)C
Compound: Cadopherone B
SMILES: O=C(O)C1=C(OC[C@H]1[C@H](C(=O)C)C)C(CC)C
Compound: Glycinocin C
SMILES: O=C1N2C(C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(N[C@@H](C(N[C@H](C(N3[C@H](C(NC[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/CCCCCCCC(C)C)CC(=O)O)=O)CCC3)=O)C(CC)C)=O)C(O)C)=O)CC(=O)O)CC(=O)O)CCCC2
Compound: Dictyofuran C
SMILES: O=CC1=C2C(OC(=C2)C)=CC(=C1)O
Compound: VLP R
SMILES: O=C1OC(=CC(=C1C)OC)CCCCC(C)C
Compound: Rakicidin A
SMILES: O=C1N(CC(=O)NC(C(=O)OC(C(C(NC(C=C1)=C)=O)C)C(CCCCCCCCCCCC(C)C)C)C(O)C(=O)N)C
Compound: (1R,4R,5S,8S,9S,11S,14R)-4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadecan-4-ol
SMILES: O[C@]1([C@@H]2[C@]([C@@H]3C[C@@H]4CC[C@H]([C@@]3(CC1)C4(C)C)C)(CC2)C)C
Compound: Cadopherone C
SMILES: O=C1O[C@H]([C@H](C)[C@@H](C1)COC(=O)C(CC)C)C
Compound: Des(diserylglycyl)ferrirhodin
SMILES: O=C(N(O)CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN(O)C(=O)/C=C(\CCO)/C)CCCN(O)C(=O)/C=C(\CCO)/C)C(=O)O)/C=C(\CCO)/C
Compound: Dongtinganthracene A
SMILES: O=C(OC)C1=C(O)C2=C([C@H](O)[C@H](C)OC2)C(=C1C=C(OC)C(=O)O)C=3C=4C(C(O)=C5C3[C@H](OC(=O)C)[C@H](C)OC5)=C(OC)C=C(C4)OC
Compound: VLP T
SMILES: O=C1OC(=CC(=C1C)OC)CCCC[C@H](CC)C
Compound: (7S)-(+)-7-O-methylsydonol
SMILES: O([C@@](C1=C(O)C=C(CO)C=C1)(CCCC(C)C)C)C
Compound: Avenaciolid 1
SMILES: O=C1O[C@H]2C(=O)O[C@@H]([C@H]2C1=C)CCCCCCCC
Compound: Cadopherone D
SMILES: O=C1OC[C@@H]2C1=C(O[C@@H](C)[C@@H]2C)C(CC)C
Compound: 16,17-didehydro-isomigrastatin
SMILES: O=C1O[C@@H](/C(=C/[C@@H](C(=O)/C=C/CC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](OC)C=CCCC=C1)C
Compound: Dongtinganthracene B
SMILES: O=C1C(=O)C(OC)=CC=2C1=C(O)C3=C([C@H](O)[C@H](C)OC3)C2C=4C=5C(C(O)=C6C4[C@H](OC(=O)C)[C@H](C)OC6)=C(OC)C=C(C5)OC
Compound: 5,6-dihydro-4-methoxy-6-hydroxymethyl-2H-pyran-2-one
SMILES: O=C1O[C@H](CC(=C1)OC)CO
Compound: 5-hydroxy-6,8-dimethoxy-2-benzyl-4H-naphtho[2,3-b]-pyran-4-one
SMILES: O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2OC(=C1)CC4=CC=CC=C4
Compound: Sterostrein T
SMILES: O=C1C2=C3C(=CC(=C2)C4=CC(=O)C5=CC(C[C@@H]5[C@]4(O)C)(C)C)C(OC)O[C@]3(C)[C@@H]6C1=CC(C)(C)C6
Compound: Similin C
SMILES: O=C1C(=C(C(CC)C)[C@H]([C@]1(CC)C)O)CC
Compound: Gilvsin D
SMILES: O=C(O)[C@]1([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)C
Compound: Sinopestalotiollide A
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@H](C(=C)C)CO
Compound: Dongtinganthracene C
SMILES: O=C1C(OC)=CC=2C(C=3C=4C(C(O)=C5C3[C@H](OC(=O)C)[C@H](C)OC5)=C(OC)C=C(C4)OC)=C6[C@H](O)[C@H](C)OCC6=C(C2C1(OC)OC)O
Compound: Trichopolyn IV
SMILES: O=C(NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](CN(CCO)C)C)C)(C)C)C)C(C)C)(C)C)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](CCCCCCCC)C)CCC1)C[C@@H](C[C@H](O)CC(=O)CC)C)C)(C)C
Compound: Spicifernin B
SMILES: O=C(C(CC)C)CC(C(C(=O)C)C)COC=O
Compound: Xylarugosin
SMILES: O=C(C1=C2O[C@]3(OC[C@@H]([C@H]3CC2=C(C)C=C1O)C)C)C4=C(C(OC)=CC(=C4)O)C=O
Compound: 1-(p-hydroxyphenyl)-2, 3-diisocyano-4-(p-methoxyphenyl)-buta-l, 3-diene
SMILES: O=C=N/C(/C1=CC=C(OC)C=C1)=C\C(\N=C=O)=C/C2=CC=C(O)C=C2
Compound: Sinopestalotiollide B
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)C[C@H](O)C(=C)C
Compound: Dongtinganthracene D
SMILES: O=C(O[C@H]1C2=C(C3=C4C(=C(O)C5=C3[C@H](O)[C@H](C)OC5)C(OC)C(O)C(=C4)OC)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C
Compound: Drim-8-en-6beta,7beta,11-triol
SMILES: O[C@H]1C(=C([C@]2(CCCC([C@@H]2[C@@H]1O)(C)C)C)CO)C
Compound: Aspergilline C
SMILES: O=C1N(C=2C=C(CC=C(C)C)C=C3C2[C@@]14O[C@]5(O)[C@@H](O)C(=O)N6[C@@]5([C@@H]4[C@H](C6(C)C)C3)O)C
Compound: Sinopestalotiollide C
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@H](C(C)C)CO
Compound: Drechmerin G
SMILES: O=C1[C@@H](O[C@@H]2C(OC([C@H]2O)=O)(C)C)CC[C@]3(C1CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
Compound: Geopyxin D
SMILES: O=C1C(=C)[C@@H]2C[C@@H]([C@@H]3[C@@]1([C@@H](O)C[C@H]4[C@]3(CCC[C@]4(C(=O)O)C)C)C2)O
Compound: Pesimquinolone A
SMILES: O=C1NC2=C(C(O)=C([C@H]3C=C(CC[C@H]3C(O)(C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Xenortide A
SMILES: O=C(N([C@H](C(=O)NCCC1=CC=CC=C1)CC2=CC=CC=C2)C)[C@@H](NC)CC(C)C
Compound: Neaumycin
SMILES: O=C1O[C@]2(O[C@@H](C(C(OC)[C@@H]3O[C@H]3C(CCC)C)C)CCC2)C[C@H]4OC(=O)C=C(C(=O)O[C@H]([C@@H](OC)CC=CC=CC=C[C@H]([C@H](C[C@@H]([C@@H]4C)O)O)C)C[C@@H]([C@H](C=CC(C[C@@H]([C@H](C=C1)C)O)OC)C)O)C
Compound: Pesimquinolone B
SMILES: O=C1NC2=C(C(O)=C([C@@H]3C=C(CC[C@@H]3C(O)(C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Sinopestalotiollide D
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/[C@@](OC)(CO)C
Compound: Drechmerin F
SMILES: O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=C(C7C6C5)C[C@@H](O)C(O)(C)C)C)C)O2
Compound: 7alpha,8alpha-dihydroxy-3,5-decadien-10-olide
SMILES: O=C1O[C@@H](C[C@@H](O)[C@@H](O)C=CC=C1)C
Compound: Diapolycopenedioic acid xylosyl ester
SMILES: O=C(O[C@@H]1OC[C@@H](O)[C@@H]([C@H]1OC(=O)CCCCCCCCCCC(C)C)O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C(=O)O)\C)\C)\C)/C)/C)/C
Compound: Pesimquinolone C
SMILES: O=C1NC2=C(C(O)=C([C@H]3C=C(CC[C@@H]3C(O)(C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Bistachybotrysin A
SMILES: O1[C@H]2O[C@H]([C@@H](O)C3=C2C=4O[C@]5([C@@]6([C@H](C([C@H](O)[C@@H](C6)O)(C)C)CC[C@H]5C)C)CC4C(=C3)O)C7=C(C1)C=C(O)C8=C7O[C@]9([C@@]%10([C@H](C([C@H](O)CC%10)(C)C)CC[C@H]9C)C)C8
Compound: Drechmerin E
SMILES: O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1[C@H](O)C(O)(C)C)O4)(C)C
Compound: O-methylalbrabetaitriol
SMILES: O([C@H]1C=C([C@](O)(CO)[C@@]2([C@@H]1C(CCC2)(C)C)C)C)C
Compound: 15alpha-Acetyl-dehydrosulphurenic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C([C@](OC(=O)C)([C@@H](O)CC4)C)CC3)C)=CC2)(C)[C@H](C1)OC(=O)C)C)CCC(=C)C(C)C
Compound: Bistachybotrysin B
SMILES: O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C5=C([C@H](O)[C@@H]6C=7C=8O[C@]9([C@@]%10([C@H](C([C@H](O)CC%10)(C)C)CC[C@H]9C)C)CC8C(=CC7CO[C@H]5O6)O)C=C(C4C3)O)[C@H](C)CC2)(C)C[C@H]1O)(C)C)C
Compound: 2-Dehydro-3-deoxylaetiporic acid A
SMILES: O=C(O)/C=C/C/C=C/C=C/C=C\C=C\C=C/C=C/C=C/C=C\C=C\C=C(\C(=O)C)/C
Compound: Pesimquinolone D
SMILES: O=C1NC2=C(C(O)=C([C@H]3C=C(CC[C@H]3C(=C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Drechmerin D
SMILES: O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1[C@@H](O)C(O)(C)C)O4)(C)C
Compound: Bistachybotrysin C
SMILES: O1[C@H]2O[C@H]([C@@H](O)C3=C2C=4O[C@]5([C@@]6([C@H](C([C@H](O)[C@@H](C6)O)(C)C)CC[C@H]5C)C)CC4C(=C3)O)C7=C(C1)C=C(O)C8=C7O[C@]9([C@@]%10([C@H](C([C@H](O)[C@@H](C%10)O)(C)C)CC[C@H]9C)C)C8
Compound: Paxinorol
SMILES: O=C1C=C2[C@@]3(O)[C@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(C)CC[C@@H]2[C@H]1O
Compound: 7-O-succinyl macrolactin F
SMILES: O=C1O[C@@H](CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)OC(=O)CCC(=O)O)C
Compound: Botryosphaerin G
SMILES: O=C1OC[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@]([C@H]3C1)(CCC5)C)C)=O
Compound: (+/-)-asperteretal D
SMILES: O=C1O[C@H](OC)C(=C1CC2=CC(=C(O)C=C2)CC=C(C)C)C3=CC=C(O)C=C3
Compound: Pesimquinolone E
SMILES: O=C1NC2=C(C(O)=C([C@@H]3C=C(CC[C@@H]3C(=C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: (4R,8R)-2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4[C@@]3(OC)C=CO4)C=C2OC5=C1C(O)=CC=C5
Compound: Lyngbyaureidamide A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@@H](C(=O)O)CC3=CC=CC=C3)CCC4=CC=CC=C4)C)C
Compound: Drechmerin C
SMILES: O=C(O)[C@]12[C@@H](O[C@H](C(OCC=C(C)C)(C)C)C[C@H]1O)CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
Compound: Paspaclavine
SMILES: O1[C@@H](C(=C)C)[C@@H]2C3=C4C(NC=C4C[C@H]2N([C@H]1C)C)=CC=C3
Compound: Asperteretal E
SMILES: O=C1O[C@H](O)C(=C1CC2=CC3=C(OC(C)(C)CC3)C=C2)C4=CC=C(O)C=C4
Compound: Drechmerin B
SMILES: O=C(O)[C@]12[C@@H](O[C@H](C(O)(C)C)C[C@H]1O)CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
Compound: Pesimquinolone F
SMILES: O=C1NC2=C(C(O)=C([C@H]3C=C(CC[C@@H]3C(=C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Daldinone F
SMILES: O=C1C2=C(O)C=CC=C2[C@@]3(O)C=4C=CC(=C5C4[C@@H]([C@H]3C1)CC[C@@H]5O)O
Compound: Grisorixin G1
SMILES: O=C(O)[C@@H]1[C@H](O[C@@](O)(C)[C@@H](C1)C)[C@@H]2O[C@@H]([C@]3(O[C@@H]([C@]4(O[C@]5(O[C@@H](C[C@H]([C@H]5C)OC)C[C@@H]6O[C@H]([C@@H](C)CC6)[C@H](C(=O)O)C)[C@@H](C4)C)C)CC3)C)[C@H](C2)CO
Compound: Phomadecalin C
SMILES: O=C1C=CC2=C[C@@H](O)[C@]3([C@@H]([C@@]2([C@H]1C)C)O3)C(=C)CO
Compound: Pesimquinolone G
SMILES: O=C1NC2=C(C(O)=C([C@@H]3C=C(CC[C@H]3C(=C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Apramide A
SMILES: S1C(=NC=C1)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](CCCCC#C)C)C)C)C)C(C)C)CCC2)C)C(C)C)C)C(C)C)C)CC3=CC=C(OC)C=C3)C
Compound: Botryosphaerin B
SMILES: O=C1O[C@]2(C=C[C@@H]3[C@@]([C@H]2C1)(CCC[C@@]3(C(=O)O)C)C)CO
Compound: Bacicyclin
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)C(C)C)=O)CC(C)C)CC2=CC=CC=C2)C
Compound: Palmaerone A
SMILES: BrC1=C(O)C=C(OC)C2=C1C[C@@H](C)OC2=O
Compound: Trichoverrin A
SMILES: O=C(OC[C@@]12[C@@]3(C4(OC4)[C@H](O[C@@H]1C=C(C)CC2)C[C@H]3OC(=O)/C=C\C=C\[C@H](O)[C@@H](O)C)C)/C=C(/CCO)\C
Compound: Pesimquinolone H
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@@]3(O[C@@H](C(=C)C)CC3)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Nidulalin B
SMILES: O=C(OC)C1=C(O)C=CC=C1C(=O)C2=C(O)C=C(C)C=C2O
Compound: Palmaerone B
SMILES: BrC1=C(OC)C=2C(=O)O[C@H](C)CC2C=C1O
Compound: 11-deacetyl pyripyropene A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(CO)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: Violacin A
SMILES: O=C1C2=C(O[C@@](C1)(O)CC(=O)C)C=C(O)C=C2C
Compound: N-acetyl-L-aspartic acid
SMILES: CC(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: Micropeptin HH992
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)N3[C@H](OC)CC[C@H]3C(N[C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)C)=O)CC(C)C)=O)CC(C)C)C
Compound: Septocylindrin B
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(CNCCO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]3N(C(=O)C(NC(=O)C)(C)C)CCC3)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Isoterrein
SMILES: O=C1C=C(/C=C/C)[C@@H]([C@@H]1O)O
Compound: Palmaerone C
SMILES: BrC1=C(OC)C=2C(=O)O[C@H](C)CC2C=C1OC
Compound: Asperidine A
SMILES: O[C@@H]1[C@@H](N[C@@H](C1)CCCCCCC)CC2=CC=CC=C2
Compound: Spirotryprostatin M
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](OCC=C(C)C)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3CC(O)(C)C)CCC2
Compound: Talacoumarin B
SMILES: O=C1OC2=C(OC)C=C(O)C=C2C=C1C[C@@H](O)C
Compound: Microginin 99-B
SMILES: ClC(Cl)CCCCCC[C@@H](N)CC(=O)N[C@H](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)CC(C)C)CC3=CC=C(O)C=C3
Compound: CP-412065
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C=C[C@]5(C)CC4)C(C)C)CC=C6[C@H]3[C@@]2(O)[C@@H](O)[C@](C1)(O)[C@@H]6O)C
Compound: Fischeramide A
SMILES: O=C/1NC2=C(C=CC=C2)C(N(\C1=C\C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C)=O
Compound: Asperidine B
SMILES: O[C@@H]1[C@@H](N([C@H](CCCCCCCC)CC1)C)CC2=CC=CC=C2
Compound: Palmaerone D
SMILES: BrC1=C(O)C=2C(=O)O[C@H](C)CC2C=C1O
Compound: Thermoplasmaquinone-7
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)C)C(=CC=C2)C
Compound: Basidiochrome
SMILES: O=C(N(O)CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN(O)C(=O)/C=C(\CC(=O)O)/C)CCCN(O)C(=O)/C=C(\CC(=O)O)/C)C(=O)O)/C=C(\CC(=O)O)/C
Compound: 6beta,12-dihydroxytremulene
SMILES: O[C@]1([C@H]2C(=C(C)[C@H](CC1)CO)CC(C2)(C)C)C
Compound: Asperidine C
SMILES: O1N2[C@@H](C[C@@H]([C@H]([C@H]1C3=CC=CC=C3)C2)O)CCCCCCCCC
Compound: Fischeramide B
SMILES: O=C/1NC2=C(C=CC=C2)C(N(\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C)=O
Compound: Palmaerone E
SMILES: BrC1=C(O)C(O)=C(OC)C2=C1C[C@@H](C)OC2=O
Compound: Nitrosporeunol C
SMILES: O=C(OC)CC/C=C/C1=C(C=CC=C1)CO
Compound: (-)-dalmanol B
SMILES: O=C1C=2C=3C=4C(OC=5C=CC=C(C5C4[C@@H]([C@H](CC(=O)C6=C(O)C=CC=C6O)C)[C@@H](C3C(=C1)O)C)O)=CC2O
Compound: N-acetyl-L-glutamate(1-)
SMILES: C(C([O-])=O)C[C@@H](C([O-])=O)[NH2+]C(=O)C
Compound: (7S)-(-)-10-hydroxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@@](O)(CCC(O)C(C)C)C)C=C1
Compound: 5,6-dimethoxycircumdatin C
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(OC)C(=C4)OC)=O)C
Compound: Asperlide A
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)C(C3)O)C=C2)C(=C1O)C4=CC=CC=C4
Compound: Piperazimycin B
SMILES: Cl[C@@H]1CNN2C(=O)[C@@H](NC(=O)[C@@H]3N(NC[C@@H](C3)O)C(=O)COC([C@@](NC([C@H]4N(C([C@H]2C1)=O)NCCC4)=O)(CO)C)=O)C/C=C/C=C/C(C)C
Compound: Palmaerone F
SMILES: ClC1=C(O)C=C(OC)C2=C1C[C@@H](C)OC2=O
Compound: Pukeleimide G
SMILES: O=C1N(/C(=C/C(=O)N2C(=O)C=C(C2)OC)/C=C1COC)C
Compound: Virescenoside R
SMILES: O1[C@H](OC[C@]2([C@@H](O)[C@H](O)C[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[C@@H]5O[C@@H]([C@@H](O)[C@H]([C@@H]5O)O)CO)O
Compound: 6-hydroxyacetylaszonalenin
SMILES: O=C1N2[C@H]3N(C=4C=CC(=CC4[C@@]3(C(C=C)(C)C)C[C@@H]2C(=O)NC5=C1C=CC=C5)O)C(=O)C
Compound: Asperlide B
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C3)C(O)(C)C)C=C2)C(=C1O)C4=CC=CC=C4
Compound: Chrestoxanthone B
SMILES: O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@H](O)CC[C@@H]6O)OC5C7=C4[C@H](OCO7)CC3C2)C
Compound: 6,8-di-(3,3-dimethylallyl)chrysin
SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(cc(=O)c2c1O)-c1ccccc1
Compound: Palmaerone G
SMILES: ClC1=C(OC)C=2C(=O)O[C@H](C)CC2C=C1O
Compound: Flamvelutpenoid D
SMILES: O=C1C=C(C(=O)CC1(O)C)[C@@]2(C(C(=O)C[C@H]2O)(C)C)C
Compound: Hypomurocin B-2
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CO)C)CC(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)(C)C)(C)C
Compound: 3-methoxyglyantrypine
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(OC)NC([C@H]2CC=4C5=C(C=CC=C5)NC4)=O
Compound: Asperlide C
SMILES: O=C1O[C@H](CC2=CC3=C(OC(C3)C(O)(C)C)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: (2E,4E,6S,8E,13R)-13-acetyloxy-6-hydroxytetradeca-2,4,8-trienoic acid
SMILES: O=C(O)/C=C/C=C/[C@@H](O)C/C=C/CCC[C@H](OC(=O)C)C
Compound: Resinacein A
SMILES: O=C1C2=C([C@@]3(CCC([C@]3(C1)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C)CCC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Terrecoumarin B
SMILES: O=C1OC(=CC2=C1C=CC(=C2CC=C(C)C)OC)C
Compound: Conidiogenone E
SMILES: O=C1C=C[C@@H](C)[C@@]23[C@@]1(CC[C@@H]2[C@H]4C(C[C@@H]([C@]4(C3)C)O)(C)C)C
Compound: Fusarithioamide B
SMILES: SCCC1OC(NC(C(=O)NC(C)C(NC2=C(C(N1)=O)C=CC=C2)=O)(CC(=O)O)C)CN
Compound: 9-methoxyfumitremorgin C
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(OC)CC=4C5=C(C=C(OC)C=C5)NC4[C@@H]3C=C(C)C)CCC2
Compound: Resinacein B
SMILES: O=C1C2=C([C@@]3(CCC([C@]3(C1)C)[C@@H](CC/C=C(/CO)\C)C)C)CCC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: (2R,3S,5E,7S,8Z)-4-chloro-3,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one
SMILES: ClC1C=C[C@@H](O)C=CC(O[C@@H]([C@@H]1O)C)=O
Compound: Saprolmycin B
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)CC5)C)(C)C4)O)[C@H]6O[C@H]([C@@H]7OC8OC(C)C(CC8O[C@H]7C6)=O)C
Compound: Marinoazepinone A
SMILES: O=C1C=2NC=CC2C=3C=CC=CC3N([C@H]1C4=CC=C(O)C=C4)C
Compound: Borrelidin H
SMILES: O=C1O[C@H]([C@H]2[C@H](C(=O)O)CCC2)CC=CC=C(C#N)[C@@H](O)[C@@H](C)C[C@@H](C[C@@H](C[C@@H]([C@H](C1)O)C)C)C
Compound: Resinacein C
SMILES: O=C1C2=C([C@@]3([C@@H](O)CC([C@]3(C1)C)[C@@](O)(CC/C=C(/C(=O)O)\C)C)C)CCC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Asperazine B
SMILES: O=C1N2[C@H]3NC=4C=CC=CC4[C@@]3(C5=C6NC=C(C6=CC=C5)C[C@@H]7NC(=O)[C@@H](CC8=CC=C(O)C=C8)NC7=O)C[C@H]2C(=O)N[C@@H]1CC9=CC=CC=C9
Compound: 9-Hydroxycrisamicin A
SMILES: O=C1C=2C(=O)C3=C(C4OC(=O)CC4OC3C)C(C2C(=O)C=C1C=5C=C(O)C6=C(O)C=7C8OC(=O)CC8OC(C7C(=C6C5)O)C)=O
Compound: (3R)-3-hydroxymethyl-8-hydroxyl-3,4-dihydroisocoumarin
SMILES: O=C1O[C@H](CC=2C1=C(O)C=CC2)CO
Compound: Avaroferrin
SMILES: O=C1N(O)CCCCNC(=O)CCC(=O)N(CCCCCNC(CC1)=O)O
Compound: Resinacein D
SMILES: O=C1C2=C([C@]3(CC[C@@H](C(C3C1)(C)C)O)C)[C@H](O)C[C@]4([C@]2(CCC4[C@@H](CC/C=C(/C(=O)O)\C)C)C)C
Compound: Borrelidin G
SMILES: O=C1O[C@H]([C@H]2[C@H](C(=O)O)CCC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@@H](C[C@@H](C[C@@H]([C@H](C1)O)C)C)C
Compound: Versicotide A
SMILES: O=C1N([C@H](C(=O)NC2=C(C(=O)N[C@H](C(N([C@H](C(NC3=C1C=CC=C3)=O)C)C)=O)C)C=CC=C2)C)C
Compound: Asperazine C
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C5=C6NC=C(C6=CC=C5)C[C@@H]7NC(=O)[C@@H](CC8=CC=CC=C8)NC7=O)C[C@H]2C(=O)N[C@@H]1CC9=CC=CC=C9
Compound: Himeic acid F
SMILES: O=C1C(C(=O)N)=CNC(=C1)/C=C\CCCCCCCCC(=O)O
Compound: Pheofungin D
SMILES: S1C2=C(NC3=C1C=C(C)C=C3O)C(=O)OC4=C2C(=CC(=C4O)OC5=C(O)C=C(C)C=C5O)C
Compound: Resinacein E
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4([C@@H](O)CC([C@]4(C1)C)[C@@](O)(CC/C=C(/C(=O)O)\C)C)C
Compound: Borrelidin I
SMILES: O=C1O[C@H]([C@H]2[C@H](C(=O)O)CCC2)CC=CC=C([C@@H](O)[C@@H](C)C[C@@H](C[C@@H](C[C@@H]([C@H](C1)O)C)C)C)CNC(=O)C
Compound: Formosusin C
SMILES: O=C1N(C(=O)CCC=CC(=C[C@H]2OCCCC2)C)CCC1
Compound: N-acetyl-L-glutamine
SMILES: CC(=O)N[C@@H](CCC(N)=O)C(O)=O
Compound: Pestalamide D
SMILES: O=C1C(C(=O)NC(=O)C[C@@H](C(=O)OC)C)=CNC(=C1)CC2=CC=CC=C2
Compound: [(2S)-2,3-dihydroxypropyl] (2E,4E,8E,13S)-13-hydroxytetradeca-2,4,8-trienoate
SMILES: O=C(OC[C@@H](O)CO)/C=C/C=C/CC/C=C/CCC[C@@H](O)C
Compound: Asperolide B
SMILES: O=C1OCC2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(C[C@@H]5O[C@H]45)C)C)=O
Compound: Resinacein F
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C=C([C@]4(C1)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C
Compound: Tricholimbrin A
SMILES: O=C1O[C@H]2C[C@@]3(OO)C4=CC[C@H]5C([C@H](OC(=O)C)CC[C@@]5([C@H]4CC[C@@]3([C@H]2[C@H]1CC(=O)C=C(C)C)C)C)(C)C
Compound: Phycodioic acid
SMILES: O=C(O)/C=C/C=C\CCCCC(=O)O
Compound: Sch-725424
SMILES: O=C1C(NC(=O)C[C@H](O)/C=C/C=C/C(=C/C=C/C)/C)=C(O)CC1
Compound: Resinacein G
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C=C([C@]4([C@@H]1O)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C
Compound: Laxaphycin A2
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]([C@H](CC)C)C(N[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N\C1=C\C)=O)CCO)=O)CCCCC)=O)=O)CC(C)C)=O)C(C)C)CC(C)C)CC3=CC=CC=C3)CCO)C[C@H](C2)O
Compound: Tricholimbrin B
SMILES: O=C1O[C@H]2CC3=C4[C@@H]([C@@]5([C@H](C([C@H](OC(=O)C)CC5)(C)C)CC4)C)CC[C@@]3([C@H]2[C@H]1CC(=O)C=C(C)C)C
Compound: Taichunamide F
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](OC)C5(O)C6=C(C7=C(OC(C)(C)C=C7)C=C6)[N+](=C5C([C@H]4C3)(C)C)[O-])CCC2
Compound: Dictyophaeric acid A
SMILES: O=C1O[C@H](CCC[C@H]([C@]2([C@H]3C1=C(O[C@H]3C=CC2=O)/C=C/C=C/C=C/C(=O)O)O)O)C
Compound: Shengjimycin D
SMILES: O=C1OC(CC=CC=CC(OC2OC(C(N(C)C)CC2)C)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Hebevinoside I
SMILES: O=C(OC[C@H]1O[C@@H](O[C@@H]2[C@@H]([C@]3(CC[C@@]4([C@H]([C@@]3(C2)C)[C@@H](OC)C=C5[C@H]4CC[C@@H](C5(C)C)O[C@@H]6OC[C@@H](O)[C@@H]([C@H]6O)O)C)C)[C@@H](CCC=C(C)C)C)[C@H](O)[C@H]([C@@H]1O)O)C
Compound: Resinacein H
SMILES: O=C1C2=C([C@@]3(C(=O)C=C([C@]3(C1)C)[C@@](O)(CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Tricholimbrin C
SMILES: O=C1[C@@H]2C3=C(C(=C4C[C@@H](O)CCC4=C3)C)CC[C@]2(C)[C@H](C1)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: Laxaphycin B4
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(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)[C@@H](O)C(C)C)=O)CCO)=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)C(=O)N)[C@H](CC)C)C
Compound: Tenuifolioside B
SMILES: O=C1[C@@H]2[C@@]([C@H]3CC[C@]4([C@@]([C@@H]3C1)(O)CC[C@@H]4C(O)([C@H](O)CCC(C)C)C)C)(CC[C@@H](C2)O[C@@H]5O[C@@H]([C@@H](O)[C@H]([C@H]5O)O)CO)C
Compound: Botryaloic acid acetate
SMILES: O=C(O)[C@@]1([C@@]2(O)[C@@H](C=O)[C@@H](C[C@@H]([C@H]2C(C1)(C)C)OC(=O)C)C)C
Compound: N-acetyl-L-isoleucine
SMILES: CC[C@H](C)[C@H](NC(C)=O)C(O)=O
Compound: VM48633
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)C5OC4)COC(=O)C=C(C)C)O)C)C
Compound: Resinacein I
SMILES: O=C1C2=C([C@@]3([C@@H](O)C=C([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Elaiomycin H
SMILES: O=C(N)[C@@H](/N=[N+](\[O-])/CCCCCCCC)COC
Compound: Tricholimbrin D
SMILES: O=C1C2=C([C@]3(CCC=CC3=C1)C)CC[C@]4([C@@H]2C(=O)C[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Unguinolic acid
SMILES: O=C(O)C1=C(OC2=C(O)C(=C(O)C=C2/C(=C/C)/C)C)C=C(O)C=C1C
Compound: Notoamide U
SMILES: O=C1N2C3(C(=O)NC14[C@@H](C(C5=[N+]([O-])C6=C([C@]5(C4)O)C=CC7=C6C=CC(O7)(C)C)(C)C)C3)CCC2
Compound: Onoceranoxide
SMILES: O1[C@]2([C@@H]([C@@]3([C@H](C(CCC3)(C)C)CC2)C)CC[C@H]4[C@]1(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C
Compound: Resinacein J
SMILES: O=C1C2=C([C@@]3([C@@H](O)C=C([C@]3(C1)C)[C@@](O)(CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Bafilomycin C1-amide
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)N)C(C)C)O)C)C
Compound: Tricholimbrin E
SMILES: O=CO[C@@H]1C[C@@]2(O)[C@]([C@@H]3C([C@@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=C[C@H]2OC)(C)CC1
Compound: Decarboxyunguinolic acid
SMILES: O(C1=C(O)C(=C(O)C=C1/C(=C/C)/C)C)C2=CC(O)=CC(=C2)C