MonarchInit/C3PO huggingface dataset:
Compound: Methionaquinone
SMILES: S(C=1C(=O)C2=C(C=CC=C2)C(C1C/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CCC[C@H](CCCC(C)C)C)/C)/C)/C)/C)/C)=O)C
Compound: Neocosmosin A
SMILES: O=C1O[C@@H](CC=CCCCCC(CC=2C1=C(O)C=C(OC)C2)=O)C
Compound: Deoxyenhygrolide B
SMILES: O=C1O/C(=C/C2=CC=CC=C2)/C(=C1CC3=CC=CC=C3)CC(C)C
Compound: Corymbiferan lactone A
SMILES: O=C1OCC=2C(OC)=CC(=C3C2C1=C(O)C=C3CO)O
Compound: Tjipanazole A2
SMILES: ClC1=CC2=C(N([C@@H]3O[C@H]([C@@H](O)[C@@H]([C@H]3O)O)C)C4=C2C=CC5=C4NC=6C=CC(=CC56)Cl)C=C1
Compound: Spirotenuipesine B
SMILES: O1[C@@H]2O[C@]3(CO)C[C@H]1C[C@@]3([C@@]24[C@@H]5O[C@@H]5[C@](O)(C)CC4)C
Compound: Blastmycetin D
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@@](C=C)(CCC(O)(C(C)C)C)C)CO
Compound: Arthrichitin
SMILES: O=C1OC(C(C(=O)NC(CCC(=O)O)C(NC(C(NC1CO)=O)C(=O)C=2C3=C(C=CC=C3)NC2)=O)C)C(CCCCCCCC)C
Compound: Thielavin Z6
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C(=O)OC2=C(C(OC)=C(C(=O)OC3=C(C(O)=C(C(=O)O)C(=C3C)C)C)C(=C2C)C)C)C
Compound: MS-681a
SMILES: O=C(N[C@H](CNCCCNCCCCN)CC1=CC=CC=C1)[C@@](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC2=CC=CC=C2)(C)C)(C)C)C)(CC)C)CC=3NC=4C=CC=CC4C3)(CC)C
Compound: (+)-Υ-L-{N-(6R,2E,4E)-7-[4'-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}glutamine
SMILES: O=C(N[C@H](C(=O)O)CCC(=O)N)/C=C/C(=C/[C@H](C(=O)C1=CC=C(N(C)C)C=C1)C)/C
Compound: Tjipanazole B
SMILES: ClC1=CC2=C(N([C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)C4=C2C=CC5=C4NC=6C=CC(=CC56)Cl)C=C1
Compound: 13-N-demethylteleocidin A1
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N[C@H]1C(C)C)C=CC3[C@@](C=C)(CCC=C(C)C)C)CO
Compound: (6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone
SMILES: O=C1O[C@@H](C[C@@H](O)[C@@H](O)C=CCC1)CCC
Compound: 3-o-methylfunicone
SMILES: O=C1C(OC)=C(OC=C1C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)/C=C/C
Compound: Thielavin Z7
SMILES: O=C(OC1=C(C(O)=C(C(=O)OC)C(=C1C)C)C)C2=C(O)C(=C(O)C=C2C)C
Compound: 3-(2-methylpropyl)-1,2,4-trithiolane
SMILES: S1SCS[C@@H]1CC(C)C
Compound: Tjipanazole C1
SMILES: ClC1=CC2=C(N([C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)C)C4=C2C=CC5=C4NC=6C=CC=CC56)C=C1
Compound: 14-O-Methylteleocidin A-1
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@@](C=C)(CCC=C(C)C)C)COC
Compound: 12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl)
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC=CC=C4)NC3=O)C)=CC=C1
Compound: Thielavin W
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2C)C)C
Compound: JBIR-59
SMILES: O=C1C(=C(O)/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@]1(O[C@@]3(O)[C@](O)(C(C)=CC([C@@]23C)=O)C)C)C
Compound: Tjipanazole C2
SMILES: ClC1=CC2=C(NC3=C2C=CC4=C3N(C=5C=CC=CC45)[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)C)C=C1
Compound: (5S,8S,9R,10S)-selina-4(14),7(11)-diene-8,9-diol
SMILES: O[C@H]1C(=C(C)C)C[C@H]2C(=C)CCC[C@@]2([C@H]1O)C
Compound: Desmethyl-5-hydroxynovobiocin
SMILES: O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](O)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(O)=C(O)C(=C4)CC=C(C)C)O
Compound: Thielavin X
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2C)C)C
Compound: CRM-51005
SMILES: O=CC1=C(O)C(=C(O)C=C1/C(=C\CCC)/C)CC
Compound: Stearoyldelicone
SMILES: O=C1C(=C2[C@@](CC2)(C)C3=C1C[C@](COC(=O)CCCCCCCCCCCCCCCCC)(C)C3)C
Compound: Tjipanazole C3
SMILES: ClC1=CC2=C(N([C@@H]3O[C@H]([C@@H](O)[C@@H]([C@H]3O)O)C)C4=C2C=CC5=C4NC=6C=CC=CC56)C=C1
Compound: Cyclo-(L-Pro-4-OH-L-Leu)
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC(O)(C)C)CCC2
Compound: 5-Hydroxynovobiocin
SMILES: O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(O)=C(O)C(=C4)CC=C(C)C)O
Compound: Thielavin Y
SMILES: O=C(OC1=CC(O)=C(C(=O)O)C(=C1)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Jesterone
SMILES: O=C1C(=C([C@H](O)[C@@H]2[C@]1(O2)CC=C(C)C)CO)/C=C/C
Compound: Asparasone A
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@@H](O)CC(=O)C
Compound: Tjipanazole C4
SMILES: ClC1=CC2=C(NC3=C2C=CC4=C3N(C=5C=CC=CC45)[C@@H]6O[C@H]([C@@H](O)[C@@H]([C@H]6O)O)C)C=C1
Compound: Xylacinic acid B
SMILES: O=C(O)/C(=C/CCCC=C)/[C@H](C(=O)OC)C
Compound: Desmethyldescarbamoyl-5-hydroxynovobiocin
SMILES: O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](O)[C@H]([C@H]3O)O)(C)C)C(=C1NC(=O)C4=CC(O)=C(O)C(=C4)CC=C(C)C)O
Compound: Thielavin Z
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)C)C2=C(OC)C=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C
Compound: 2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-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)CCCCC(O)CC(O)CNC(=O)C)C)C(CCCC)C)CC(=O)O
Compound: Tjipanazole D
SMILES: ClC1=CC2=C(NC3=C2C=CC4=C3NC=5C=CC(=CC45)Cl)C=C1
Compound: Verrucofortine
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1CC(C)C)C(=O)C
Compound: Daldiniside A
SMILES: O1C2=C(C(O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)=CC=C2)[C@H](O)C[C@H]1C
Compound: Thielavin Z1
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C=C2C)C
Compound: Desmethylnovobiocin
SMILES: O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](O)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O
Compound: Communiol F
SMILES: O1[C@@H]2C(=CC[C@@H]2C[C@H]1[C@@H](O)CC)CO
Compound: Tjipanazole E
SMILES: ClC1=CC2=C(N([C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C4=C2C=CC5=C4NC=6C=CC(=CC56)Cl)C=C1
Compound: Variecolorin O
SMILES: O=C/1N[C@@](O)(C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Compound: (+)-applanatumol K
SMILES: O=C(O)[C@@]1([C@H](O)C(=C)[C@H](O)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Thielavin Z2
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C=C2C)C
Compound: 2,2,6-Trimethylcyclohexanone
SMILES: O=C1C(CCC[C@@H]1C)(C)C
Compound: Victorin B
SMILES: Cl/C=C\1/NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)O)CC(CCl)C)[C@H](O)CCCN)[C@@H](OC=2CC(C(C2CC(NC1=O)C(=O)O)=O)O)C(C)C
Compound: Tjipanazole F1
SMILES: ClC1=CC2=C(N([C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)C4=C2C=CC5=C4NC=6C=CC=CC56)C=C1
Compound: Tetrahydro-limipterin
SMILES: O=C1NC(=NC2=C1NC([C@@H](O)[C@@H](OC3OC(C(O)C(C3NC(=O)C)O)CO)C)CN2)N
Compound: Gramilaurone
SMILES: O=C1C2(OCC34C(O)C(CC4(C2(C(O3)CC1C)CO)C)O)O
Compound: Thielavin Z3
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Unnamed naphterpin 1
SMILES: O=C1C=2OC([C@H]3C[C@H](O)C(=C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C)C)(C)C
Compound: Terretrione A
SMILES: O=C1N(C(=O)C(CC2=CC=CC=C2)C(N(C1CC(C)C)C)=O)C
Compound: Tjipanazole F2
SMILES: ClC1=CC2=C(NC3=C2C=CC4=C3N(C=5C=CC=CC45)[C@@H]6OC[C@@H](O)[C@@H]([C@H]6O)O)C=C1
Compound: 3,15-dihydroxyl-(22E, 24R)-ergosta-5,8(14),22-trien-7-one
SMILES: O=C1C2=C3[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)C[C@H]3O)(CC[C@@H]2[C@]4(CC[C@@H](CC4=C1)O)C)C
Compound: Unnamed naphterpin 2
SMILES: O=C1C=2OC([C@H]3C[C@H](OC(=O)C)C(=C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C)C)(C)C
Compound: Thielavin Z4
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C=C2C)C
Compound: Virgaricin B
SMILES: O=C1N[C@@H](CO)[C@@H]([C@]1(O)C(=O)C=CC=CC=CCCC=CC)O
Compound: Cyclo(L-Val-D-Ile-L-Leu-L-Pro-D-Leu)
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)C(CC)C)=O)C(C)C)CC(C)C)CCC2
Compound: Nocathiacin II
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(=O)C(=O)N)N5)COC(C9=C%10CO[C@@H]3[C@H](O[C@@H]%11O[C@H]([C@@H](N)[C@](C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9)=O
Compound: Tjipanazole G1
SMILES: O1[C@@H](N2C3=C4NC=5C=CC=CC5C4=CC=C3C6=C2C=CC=C6)[C@H](O)[C@@H](O)[C@@H]([C@H]1C)O
Compound: 2-Hydroxysorangiadenosine
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)N[C@]4([C@H]5[C@](C[C@H](C4)O)(CC[C@H](C5)C(=C)C)C)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Thielavin Z5
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
Compound: Serratamolide A
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)OC(CC(N[C@H]1CO)=O)CCCCCCC)CO)CCCCCCC
Compound: 6-tricyclohumulane-4alpha, 8alpha, 10alpha-triol
SMILES: O=C(O[C@H]1C2[C@@](O)(CCC[C@](C2[C@H]3[C@@H]1C3(C)C)(O)C)C)C
Compound: Emycin A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=CC4=C3[C@@H](O)C[C@H](C4)C
Compound: 7-O-acetylemindole SB
SMILES: O=C(O[C@@H]1[C@]([C@H]2[C@]([C@]3(C=4NC=5C=CC=CC5C4C[C@@H]3CC2)C)(C)CC1)(CCC=C(C)C)C)C
Compound: Dactylomelol
SMILES: Br[C@H](C(Cl)(C)C)CCC1(C2OC(C1CCC(O)(C=C)C)(C)CC2)C
Compound: Tjipanazole G2
SMILES: O1[C@@H](N2C3=C4NC=5C=CC=CC5C4=CC=C3C6=C2C=CC=C6)[C@H](O)[C@@H](O)[C@@H]([C@@H]1C)O
Compound: 16,17-Dihydroxycyclooctatin
SMILES: O[C@@]1([C@H]2[C@@H]([C@H](CO)C[C@H]2O)C[C@]3(CC[C@@H](C3=CC1)C(CO)CO)C)C
Compound: Decaspirone A
SMILES: O=C1C=CC2(OC=3C=4C(C=CC3)=CC=CC4O2)[C@H]5[C@H]1[C@@H](O)C=C[C@H]5O
Compound: Friedelane-1,3-dione
SMILES: O=C1C2[C@]3(C([C@@]4([C@@](C5[C@@](CCC(C5)(C)C)(C)CC4)(C)CC3)C)CC[C@@]2([C@@H](C)C(C1)=O)C)C
Compound: Monapinone B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C=C3C2)C[C@H](O)CCCCC
Compound: 22-hydroxylshearinine F
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=C(C(OC(C8)(C)C)(C)C)[C@@H](C7=CC6C5C[C@@H]4CC3)O)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C
Compound: Pentalenolactone I (Pentalenolactone C, AA-57)
SMILES: ClC[C@@]1(O)C(=O)OC[C@@H]2[C@]13C=C(C)[C@H]([C@H]3C=C2C(=O)O)C
Compound: cysteic acid
SMILES: NC(CS(O)(=O)=O)C(O)=O
Compound: Tjipanazole I
SMILES: ClC1=CC2=C(NC3=C2C=CC4=C3NC=5C=CC=CC45)C=C1
Compound: Saponaceol C
SMILES: O=C(OC)/C(/NC(=O)CC(O)(CC(=O)O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]5C(O[C@@H](C(O)(C)C)CC5)O)CC4)(C)[C@H](C3)O)C)CC2)(C)C[C@H]1OC(=O)C)(C)C)C)=C/C6=CC=CC=C6
Compound: Alterporriol N
SMILES: O=C1C2=C(C3=C4C(=O)C5=C(C[C@@H](O)[C@]([C@@H]5O)(O)C)C(C4=C(O)C=C3OC)=O)C(OC)=CC(=C2C(=O)C6=C1[C@@H](O)[C@@](O)(C)[C@@H](C6)O)O
Compound: 6-hydroxylpaspalinine
SMILES: O=C1C=C2[C@@]3([C@H](O)C[C@]4([C@H]2CC[C@@H]5[C@@]4(C=6NC=7C=CC=CC7C6C5)C)C)O[C@@H]1C(O3)(C)C
Compound: Microcyclamide
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC=5N(C=NC5)C
Compound: Tjipanazole J
SMILES: ClC1=CC=2C3=C(C=4NC=5C=CC(=CC5C4C6=C3C(=O)N[C@H]6O)Cl)NC2C=C1
Compound: Epipentalenolactone F
SMILES: O=C1OC[C@H]2C(C(=O)O)=C[C@H]3[C@]2([C@@]14OC4)CC(C)(C)C3
Compound: Ferensimycin A
SMILES: O=C(O)[C@H]([C@@]1(O[C@@H]([C@@H](C)C[C@H]1C)[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]2O[C@@]([C@@]3(O[C@]([C@@H](O)C)(CC)C[C@H]3C)O)(C)C[C@@H]2C)CC)C)C)O)C
Compound: Inoterpene B
SMILES: OC([C@H](O)CC[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)C
Compound: Talarosterone
SMILES: O=C1C2=CC(=O)CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@]53[C@H]1O5)CC[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C
Compound: Macrolactin F
SMILES: O=C1O[C@@H](CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O)C
Compound: Puwainaphycin B
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(N2[C@H](C(N[C@@H]([C@H](C(N[C@H](C(N\C1=C\C)=O)C(C)C)=O)O)[C@H](CCCCCCCCCC(=O)CCCC)C)=O)CCC2)=O)CC(=O)N)C)C(OC)C)CCC(=O)N)C(C)C)[C@@H](O)C
Compound: Napyradiomycin C2
SMILES: Cl[C@@]12C(=O)C3=C(O)C4=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC(C(C4)=C)Cl)C)=O
Compound: Mabetaarinin B
SMILES: O=C1C2=C(OC=C2[C@H](O)[C@H](C1)C)C3=C4OC(C=CC4=CC=C3O)(C)C
Compound: 2,2'-bis-(7-methyl-1,4,5-trihydroxy-anthracene-9,10-dione)
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(C)C3)C(O)=C(C4=C(O)C=5C(=O)C6=C(C(O)=CC(=C6)C)C(C5C(=C4)O)=O)C=C2O
Compound: Antanapeptin A
SMILES: O=C1OC(C(C(=O)N[C@H](C(=O)N([C@@H](CC2=CC=CC=C2)C(O[C@H](C(N3[C@H](C(N([C@H]1C(CC)C)C)=O)CCC3)=O)C(C)C)=O)C)C(C)C)C)CCCC#C
Compound: Banyascyclamide B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C3=NC(C(NC2C)=O)=CS3)C)[C@H](O)C)CC(C)C
Compound: Napyradiomycin C1
SMILES: Cl[C@@]12C(=O)C3=C(O)C4=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC=C(C4)C)C)=O
Compound: Puwainaphycin A
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(N2[C@H](C(N[C@@H]([C@H](C(N[C@H](C(N\C1=C\C)=O)C(C)C)=O)O)[C@H](CCCCCCCCCC(=O)CCCC)C)=O)CCC2)=O)CC(=O)N)C)C(OC)C)CCC(=O)N)[C@@H](O)C)[C@@H](O)C
Compound: Cytospolide B
SMILES: O=C1O[C@@H]([C@@H](OC(=O)C)CCC=C[C@H]([C@H]1C)O)CCCCC
Compound: Bacillusamide A
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CCNC)CCC2
Compound: Lobophorin K
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(NO)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)O)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)C=C(CO)[C@@H](C3)C
Compound: Aspergillicin A
SMILES: O=C1O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N3[C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)CCC3)=O)[C@H](CC)C)C
Compound: Napyradiomycin B1
SMILES: Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O)C
Compound: (6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one
SMILES: O=C1C2=C(O)C=CC3=C2C(=C4C5=C(C(O)=CC=C5)[C@@H]([C@@H]([C@H]34)OC)O)CC1
Compound: Puwainaphycin E
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(N2[C@H](C(N[C@@H]([C@H](C(N[C@H](C(N\C1=C\C)=O)C(C)C)=O)O)[C@H](CCCCCCCCCCCC)C)=O)CCC2)=O)CC(=O)N)C)C(OC)C)CCC(=O)N)[C@@H](O)C)[C@@H](O)C
Compound: Reveromycin E 4'-methyl ester
SMILES: O=C(O)/C=C(/C=C/[C@@H]1O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC[C@]1(OC(=O)CCC(=O)OC)CCCCCC)\C
Compound: Obscurolide-B4
SMILES: O=C1OC(C(O)/C=C/C)C(C1)NC2=CC=C(COC)C=C2
Compound: Phomaether A
SMILES: O1[C@@H](OC2=C(OC3=CC(O)=CC(=C3)C)C(=CC(=C2)OC)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Napyradiomycin B2
SMILES: Cl[C@@H]1C=C2C(=O)C3=C(O)C=C(O)C=C3C([C@]2(C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)OC1(C)C)=O
Compound: Laetiposide C
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC=C(C)C)CC4)(C)CC3)C)[C@@H](C2)OC5OC(C(O)C(C5O)O)CO)(C)CC1)(C)C
Compound: 15-hydroxytenellin
SMILES: O=C1N(O)C=C(C2=CC=C(O)C=C2)C(=C1C(=O)/C=C/C(=C/[C@H](CO)CC)/C)O
Compound: Torrubiellutin A
SMILES: O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](O)[C@H](C=C([C@H]([C@@H](C=C1)C)O)C)C)C)C)CC2=CC=CC=C2)C
Compound: Mirabimide D
SMILES: O=C1N(C(=O)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](OC(=O)[C@@H](N(C(=O)C)C)CC(C)C)[C@H](CC)C)C)C(C)C)CCC2)[C@H](C(C)C)C(=C1)OC
Compound: Phomaether B
SMILES: O1[C@@H](OC2=CC(OC3=C(O)C=C(OC)C=C3C)=CC(=C2)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Anthcolorin B
SMILES: O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C
Compound: SF2415A1
SMILES: ClC1(C(=O)C2C(=O)C(=C(O)C(C2C(C1(O)C/C=C(/CCC=C(C)C)\C)=O)=[N+]=[N-])C)CC=C(C)C
Compound: (1'S)-7-chloroaverantin-1'-butyl ether
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1O)=O)[C@@H](OCCCC)CCCCC
Compound: Penicillenol A1
SMILES: O=C/1N([C@@H](C(O)C)C(\C1=C(\O)/C(CCCCCC)C)=O)C
Compound: L-cysteine glutathione disulfide
SMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=O
Compound: Phomaether C
SMILES: O(C1=C(O)C=C(OC)C(=C1C)OC)C2=CC(O)=CC(=C2)C
Compound: Mirabimide A
SMILES: O=C1N(C(=O)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](OC(=O)[C@@H](N(C)C)CC(C)C)[C@H](CC)C)C)C(C)C)CCC2)[C@H](C(C)C)C(=C1)OC
Compound: Fellutamide B
SMILES: O=C(N[C@H](C(=O)N[C@H](C=O)CC(C)C)CCC(=O)N)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)CC(=O)N
Compound: SF2415A2
SMILES: O=C1C(=[N+]=[N-])C2=C(C(=O)C3(CC=C(C)C)C(C2=O)(O3)C/C=C(/CCC=C(C)C)\C)C(=C1C)O
Compound: Vulnibactin 3
SMILES: O=C(NCCCNCCCNC(=O)C1N=C(C2=C(O)C=CC=C2)OC1C)C3=C(O)C(O)=CC=C3
Compound: 6-Hydroxyinfractin
SMILES: O=C(OC)CCC1=NC=CC2=C1NC=3C=CC(=CC23)O
Compound: Mirabimide B
SMILES: O=C1N(C(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@@H](N(C)C)CC(C)C)[C@H](CC)C)C(C)C)CCC2)[C@H](C(C)C)C(=C1)OC
Compound: Chalcomycin E
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](C[C@@H]([C@H]2O)OC)C)C)(O)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H]([C@H]3OC)OC)C)C
Compound: SF2415B1
SMILES: Cl[C@]1(C(=O)C2=C(O)C(=C(O)C=C2C([C@@]1(O)C/C=C(/CC/C=C/C)\C)=O)C)CC=C(C)C
Compound: Brevicompanine B
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@@H]1CC(C)C
Compound: Ukulactone A
SMILES: O=C1O[C@H]2[C@@H](C)C([C@@]1([C@@]2(/C=C(/C=C/C=C/C=C/C=C(/[C@@H]3O[C@@H]([C@@](O)(C)C=C3C)C)\C)\C)C)C)=O
Compound: PP-V
SMILES: O=C1C2=C(C=C(/C=C\C(=O)O)N=C2)C=C3[C@]1(OC(=O)C3=C(O)CCCCCCC)C
Compound: Borrelidin C
SMILES: O=C1O[C@H]([C@H]2[C@H](C(=O)O)C[C@H](C2)O)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: Illudin F
SMILES: O=C1C2=C(C(=C)C3([C@@]1(O)C)CC3)[C@H](O)C([C@H]2O)(C)C
Compound: SF2415B2
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C3(C1(O3)CC=C(C)C)C/C=C(/CCC=C(C)C)\C)C
Compound: Mirabimide C
SMILES: O=C1N(C(=O)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](OC(=O)[C@@H](N(C)C)CC(C)C)C(C)C)C)C(C)C)CCC2)[C@H](C(C)C)C(=C1)OC
Compound: Epothilone G1
SMILES: O=C1C([C@@H](O)CC(=O)O[C@H](/C(=C/C=2N=C(C)OC2)/C)C[C@H]3[C@@H](CCC[C@@H]([C@@H]([C@H]1C)O)C)O3)(C)C
Compound: 6-methylheptane-1,2,3,4,5-pentaol
SMILES: O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)C(C)C
Compound: Borrelidin D
SMILES: O=C1O[C@H]([C@H]2[C@H](C(=O)O)C[C@@H](C2)O)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: Strobilol M
SMILES: OC1(C2=C(C=CC(=C2)C)[C@H](C)C[C@H]1O)C(=C)CO
Compound: SF2415A3
SMILES: Cl[C@@]12C(=O)C=3C(O)=C(C(=O)C(C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C/C=C(/CCC=C(C)C)\C)=O)=[N+]=[N-])C
Compound: Dihydrobotrydialone
SMILES: O=C1O[C@H](O)[C@H]2[C@@H](C[C@@H]([C@@H]3[C@]2([C@@]1(CC3(C)C)C)O)OC(=O)C)C
Compound: Suomilide
SMILES: S(=O)(=O)(OCC(OC)C(=O)N[C@@H](C(=O)N1C(C(=O)NCCC2=CCN(C2)C(=N)N)C3NC(=O)OC34CC(CC1C4O)OC5OC(C(O)C(C5OC(=O)CCCCC)O)COC(=O)CCCCC)[C@H](CC)C)O
Compound: Borrelidin E
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@H]([C@@H](C[C@@H]([C@H](C1)O)C)C)O)C
Compound: 3-hydroxy-2-N-iso-butyryl-anthranilamide
SMILES: O=C(N)C1=C(NC(=O)C(C)C)C(O)=CC=C1
Compound: Mupirocin F2
SMILES: O=C(OCCCCCCCCC(=O)O)/C=C(/C[C@@H]1OC[C@@H]2C[C@@H]3[C@@H](O[C@@]1(O)[C@H]2O3)[C@H]([C@@H](O)C)C)\C
Compound: SF2415B3
SMILES: Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C/C=C(/CCC=C(C)C)\C)=O)C
Compound: Pitiamide A
SMILES: Cl/C=C/C=C/CCC(C(=O)CC(CCNC(=O)CC/C=C/CCC)C)C
Compound: N-(4-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P
SMILES: ClC1=C(OC)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)C)(O4)C)C)C3)=O)C
Compound: Acinetoferrin
SMILES: O=C(N(O)CCCNC(=O)CC(O)(C(=O)O)CC(=O)NCCCN(O)C(=O)/C=C/CCCCC)/C=C/CCCCC
Compound: Trichodermanin C
SMILES: O=C1[C@@H]2C([C@@]3([C@@H]4[C@@H]([C@](O)(C)CC3)[C@@H](C[C@]4(C2)C)O)[C@@H](C1)C)(C)C
Compound: Xenortide B
SMILES: O=C(N([C@H](C(=O)NCCC=1C2=C(C=CC=C2)NC1)CC3=CC=CC=C3)C)[C@@H](NC)CC(C)C
Compound: Phenazinomycin
SMILES: O=C1C2=NC3=C(C=CC=C3)N(C2=CC=C1)C/C=C(\CC[C@@H]4C(=C)CCCC4(C)C)/C
Compound: Micropeptin T20
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](O)CO)C(=O)NC(C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@@H]1[C@H](CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5=CC=CC=C5)C
Compound: Fomlactone B
SMILES: O=C1O[C@]2(O[C@H]3[C@]4([C@](C=5CC[C@@H]6[C@@](C5C3)(CC[C@H](C6(C)C)O)C)(CC[C@@H]4[C@@H](C2)C)C)C)[C@H]([C@@H]1C)C
Compound: Trichodermanin D
SMILES: O[C@]12C([C@]3([C@H](C)CC1)[C@@H]4[C@@H]([C@](O)(C)CC3)[C@@H](C[C@]4(C2)C)O)(C)C
Compound: SF2738F
SMILES: S1N=CC=2C1=C(OC)C=C(C3=NC=CC=C3)N2
Compound: Neocarazostatin C
SMILES: O(C1=C(O)C2=C(NC3=C2C=C(CC=C(C)C)C=C3)C(=C1C)C(OC)[C@H](O)C)C
Compound: (-)-Bybetaochlamic acid bisdiimide
SMILES: O=C1NC(=O)C2=C1[C@@H](CC=3C(=O)NC(C3C[C@@H](C2)CC)=O)CCC
Compound: Peniciketal A
SMILES: O=CC1=C(O)C(=C(O)C=C1C[C@]23OC4=C(C5=C(CO[C@]6(C5)O[C@H](C[C@@H](C6)O)C)C(=C4C)O)[C@H](C2)C[C@@H](O3)C)C
Compound: Amantelide A
SMILES: O=C1OC(C(C)(C)C)CC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(CCCC(CCC[C@H](C[C@H](CCCC(=C1)C)O)O)O)O
Compound: Trichodermanin E
SMILES: O[C@@]1([C@@H]2[C@H]3[C@@]4(C([C@@H]([C@@H](O)[C@@H]([C@H]4C)O)C[C@]3(C)CC2)(C)C)CC1)C
Compound: 1-Methylindole-3-carboxylic acid amide
SMILES: O=C(N)C=1C2=C(C=CC=C2)N(C1)C
Compound: Cryptophycin-50
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)CCC)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)C
Compound: Neocarazostatin A
SMILES: O(C1=C(O)C2=C(NC3=C2C=C(CC=C(C)C)C=C3)C(=C1C)C(O)[C@H](O)C)C
Compound: Amantelide B
SMILES: O=C1OC(C(C)(C)C)CC(O)CCCC(OC(=O)C)CCCC(O)CCCC(O)CCCC(O)CCCC(CCCC(CCC[C@H](C[C@H](CCCC(=C1)C)O)O)O)O
Compound: 16-keto aspergillimide
SMILES: O=C1N([C@@]23[C@@H](C(C)(C)[C@]4(C2)C(=O)N(C)C(C4)=O)C[C@@]15N(C(=O)C[C@H]5C)C3)C
Compound: Asperentin B
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C(O)C2O)C[C@@H]3O[C@H](CCC3)C
Compound: Seragakinone A
SMILES: O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C([C@]24[C@@H](O[C@@H](C4)C(O)(C)C)[C@@]5([C@@]1(O)C(O)=C(C(=O)C5)C(=O)C)O)=O
Compound: Neocarazostatin B
SMILES: O(C1=C(O)C2=C(NC3=C2C=C(CC=C(C)C)C=C3)C(=C1C)C[C@H](O)C)C
Compound: Columbamide B
SMILES: ClC(Cl)CCCCCC(Cl)CCCC/C=C/CCC(=O)N([C@H](COC(=O)C)COC)C
Compound: 7,8-dideoxy-6-oxo-griseorhodin C pentaacetate
SMILES: O=C1OC(=CC=2C1=C(OC(=O)C)C=3O[C@@]4(OC5=C(OC(=O)C)C6=C(OC(=O)C)C(OC)=CC(=C6C(=C5C4=O)OC(=O)C)OC(=O)C)CCC3C2)C
Compound: Polyporapyranone D
SMILES: ClC1=CC(O)=CC(=C1)C=2OC=CC(C2)=O
Compound: 2-amino-6-hydroxy-[1,4]-benzoquinone
SMILES: O=C1C(O)=CC(=O)C=C1N
Compound: Circumdatin K
SMILES: O=C1NCC2=NC=3C(O)=CC=CC3C(N2C4=C1C=CC=C4)=O
Compound: 6-prenylindole
SMILES: N1C2=C(C=CC(=C2)CC=C(C)C)C=C1
Compound: Columbamide C
SMILES: ClC(CCCC/C=C/CCC(=O)N([C@@H](COC)CO)C)CCCCCCCl
Compound: 17S-dihydroaustalide K
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(CC[C@@H]5[C@@]([C@H]4C3)(CC[C@@H](C5(C)C)O)C)C)C2C
Compound: Penicacid B
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)CC=C([C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)CC(=O)O)C
Compound: Clearanol J
SMILES: O=C1O[C@H]([C@@](O)(C)C=2C1=C(O)C=C(O)C2C)CO
Compound: Carbazoquinocin E
SMILES: O=C1C(=O)C2=C(NC3=C2C=CC=C3)C(=C1C)CCCCCC(C)C
Compound: Columbamide A
SMILES: ClC(CCCC/C=C/CCC(=O)N([C@H](COC(=O)C)COC)C)CCCCCCCl
Compound: Communesin J
SMILES: O=C(N1[C@@H]2N3[C@@H](C=4C=CC=C5C4[C@@]6([C@]2(C7=C(N[C@@H]6N5C)C=CC=C7)CC1)CC3)C=C(C)C)/C=C/C=C/C
Compound: Preubetaiafuran B
SMILES: O=C(O)C1=C(O)C(O)=C2OC=3C(C2=C1C)=C(O)C4=C(COC4)C3C
Compound: (2R,3E)-N-((2S,3R,4E,8E,10E)-1,3-dihydroxyoctadeca-4,8,10-trien-2-yl)-2-hydroxy-6-methyloctadec-3-enimidic acid
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C/C=C/CCCCCCC)CO)[C@H](O)/C=C/CC(CCCCCCCCCCCC)C
Compound: O-methyldihydrobotrydial
SMILES: O=C(O[C@@H]1[C@@H]2[C@@]3(O)[C@](CO[C@@H]([C@H]3[C@@H](C1)C)OC)(C)CC2(C)C)C
Compound: Leptosphaerin J
SMILES: O=C1O[C@](C(=O)C)(C)C=2C1=C(O)C=C(OC)C2COCC3=C(OC)C=C(O)C4=C3[C@@](OC4=O)(C(=O)C)C
Compound: Trichophycin B
SMILES: Cl/C=C(\CC1=CC=CC=C1)/C[C@H](O)CC[C@H](C[C@H]([C@H]2OC(=O)C=C(C2)OC)C)C
Compound: Communesin K
SMILES: N12[C@@H](C3=C4C(N(C)[C@@H]5[C@]4([C@]6([C@@H]1NCC6)C7=C(N5)C=CC=C7)CC2)=CC=C3)C=C(C)C
Compound: (3R*,4S*)-3,4,8-trihydroxy-6,7-dimethyl-3,4-dihydro-1(2H)-naphthalenone
SMILES: O=C1C2=C(O)C(=C(C)C=C2[C@H](O)[C@@H](C1)O)C
Compound: Dhilirolide J
SMILES: O=C1OC(C2=CC[C@@]3([C@@]4(C2=C1)[C@@]5(O[C@]6(O)[C@@](C4)(C)C([C@@]37C(=O)O[C@H]([C@]76O5)C)=C)C)C)(C)C
Compound: Leptosphaerin K
SMILES: O=C1O[C@](C(=O)O)(C)C=2C1=C(O)C=C(OC)C2C
Compound: Isariotin K
SMILES: O=C1C=C[C@H]2[C@@H]([C@]13O[C@@H](O)[C@H](C3)NC(=O)/C=C/CCCCCCC)O2
Compound: Trichophycin C
SMILES: Cl/C=C(\CC1=CC=CC=C1)/C[C@H](O)CC[C@H](C[C@H]([C@@H](O)C/C=C/Cl)C)C
Compound: 2,4,6-triphenylalanine
SMILES: NC1=C(C2=CC=CC=C2)C=C(C3=CC=CC=C3)C=C1C4=CC=CC=C4
Compound: Ustusorane D
SMILES: O=C1C2=C(C3=C(C[C@@H](C)O[C@@H]3OC)C=C2)OC1C(C)C
Compound: Leptosphaerin L
SMILES: O=C1O[C@]([C@@H](O)C)(C)C=2C1=C(O)C=C(O)C2C
Compound: Variecolorin H
SMILES: O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Compound: 6-O-acety-trichaurantin
SMILES: O=C1O[C@]2(C(=C)CO)C=C3C(=O)C[C@@H]([C@@]3(C)C[C@H]([C@@]2(C1)C)OC(=O)C)C(C)C
Compound: Trichophycin D
SMILES: Cl/C=C(/C[C@H](O)CC[C@H](C[C@H]([C@@H](O)C/C=C/Cl)C)C)\CCCC#C
Compound: Kahakamide B
SMILES: O=C(N)[C@H]1O[C@H](N2C3=C(C(OC)=CC=C3)C(=C2)CC(=O)N)[C@@H](O)[C@H](C1)O
Compound: Phenethyl 5-hydroxy-4-oxohexanoate
SMILES: O=C(OCCC1=CC=CC=C1)CCC(=O)[C@@H](O)C
Compound: 12,15-dihydroxytremulene
SMILES: OC[C@@]1(CC2=C([C@H](CC[C@@H]([C@@H]2C1)C)CO)C)C
Compound: Leptosphaerin M
SMILES: O=C1O[C@]([C@@H](O)C)(C)C=2C1=C(O)C=C(OC)C2
Compound: Trichophycin E
SMILES: BrC#CCCC/C(=C\Cl)/C[C@H](O)CC[C@H](C[C@H]([C@@H](O)C/C=C/Cl)C)C
Compound: Trans-dihydrowaol A
SMILES: O=C1O[C@@H](/C=C/C)[C@H]2[C@H]1C[C@@H](O)[C@H](O2)/C=C/C
Compound: 4-hydroxy-3,6-dimethyl-2-pyrone
SMILES: O=C1OC(=CC(=C1C)O)C
Compound: [22-hydroxy-1,2,6,6,10,19-hexamethyl-16-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-21-oxahexacyclo[12.11.0.02,11.05,10.015,23.018,23]pentacos-14-en-8-yl] acetate
SMILES: O=C1C2=C3C(C4(C(C5(C(C(C(OC6OC(C(O)C(C6O)O)CO)C(C5)OC(=O)C)(C)C)CC4)C)CC3)C)(CCC27C(OCC(C7C1)C)O)C
Compound: Dermocanarin 7
SMILES: O=C1OC2=C(C3=C(O)C4=C(OC)C=C(C=C4C(=C3C[C@](C1)(O)C)[C@]5(O)C6=C(C(=O)C7=C5C=C(C)C=C7O)C(OC)=CC(=C6)OC)OC)C(OC)=CC=8C2=C(O)C=9C(=O)C[C@@](O)(C)CC9C8
Compound: Clearanol I
SMILES: O=C1O[C@H]([C@@H](C)C=2C1=C(O)C=C(OC)C2C)CO
Compound: 8-amino-[1,4]diazonane-2,5-dione
SMILES: O=C1NCC(=O)NCCC[C@@H]1N
Compound: Caerulomycin E
SMILES: O=CC1=NC(C2=NC=CC=C2)=CC(=C1)OC
Compound: 3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene
SMILES: O=C(O[C@@H]1C=C2[C@H](CC[C@]3(C2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@]4([C@]1(O)C[C@@H](O)CC4)C)C
Compound: Trichophycin F
SMILES: Cl/C=C(/C/C=C(/C[C@H](C[C@H]([C@@H]1OC(=O)C=C(C1)OC)C)C)\C)\CCCN(C(=O)CC)C
Compound: 1alpha,7alpha-dihydroxyconfertifolin
SMILES: O=C1OCC2=C1[C@H](O)C[C@@H]3[C@@]2([C@@H](O)CCC3(C)C)C
Compound: Tricholide A
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](CCCC)C)CCCC(CCC(C=C1)C)OC)CCC2
Compound: (3S,4R)-3-benzyl-3,4-dihydroxypentan-2-one
SMILES: O=C([C@@](O)([C@H](O)C)CC1=CC=CC=C1)C
Compound: 14-Deoxyandrographolide
SMILES: O=C1OCC=C1CC[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@H]([C@]3(CO)C)O)C
Compound: 8-Hydroxy-3Z,5Z-tetradecadienoic acid
SMILES: O=C(O)C/C=C\C=C/C[C@@H](O)CCCCCC
Compound: Tricholactone
SMILES: O=C1O[C@@H]([C@@H](C[C@@H](CC(=O)C)C)C)CC(=C1)OC
Compound: Tricholide B
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](CCCC)C)CCCC(CCC(C=C1C)C)OC)CCC2
Compound: Coibanol B
SMILES: O=C1C2=C(O[C@]3(CC[C@H]([C@H]3C2)C(=C)C)C)[C@@H](OC)C[C@@H]1O
Compound: Graphisquinone
SMILES: O=C1C(OC)=C(OC)C(=O)C2=C1OC(C)=C2
Compound: Habetaallidin E
SMILES: O=C/1NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(C(NC(C(NC(C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(OC3OC(C(O)C(C3O)O)CO)C)C)CCC(=O)N
Compound: 11-Demethyl-piericidin A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O)/C=C/C)C)/C)\C
Compound: 29-hydroxydehydrotumulosic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H]([C@]([C@@H](O)CC4)(CO)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Compound: Unnarmicin D
SMILES: O=C1O[C@@H](CC(=O)NCC(=O)N[C@@H](C(NCC(N[C@H]1CC2=CC=CC=C2)=O)=O)CC3=CC=C(O)C=C3)CCCCCCCCC
Compound: Ustusorane B
SMILES: O=C1C(OC2=C1C=CC3=C2COC(=C3)C)=C(C)C
Compound: Okilactomycin D
SMILES: O=C1O[C@]23[C@H](C=C(C)[C@H](C2)C)CCC[C@@H](C)C[C@H](C=C(C(=C1C3=O)O)C)C
Compound: (2E,5E,7E,11E,9R,10R,13S,19R)-13,19-dihydroxyl-IT-143-A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C(=C/C(=C/[C@H]([C@@H](O)/C(=C/[C@](O)([C@H](O)C)C)/C)C)/C)/C)\C
Compound: Nostamide B
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)C(CC)C)CCC3=CC=CC=C3)C)C
Compound: Rowithocin A
SMILES: P(=O)(OC1C=CC(=CCC(OC(=O)CC(=C)C(CC=CC=CC=CC=CC(=CC1O)C)C)/C=C/C(/C=C\C=C)C)C)(O)O
Compound: FGFC4
SMILES: O=C1NCCC[C@@H]1N2C(=O)C=3C=C(O)C4=C(C3C2)C[C@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C4)O
Compound: Pamamycin-621D
SMILES: O=C1O[C@H](C[C@H]2O[C@@H]([C@@H](C(=O)O[C@H]([C@@H]([C@H]3O[C@@H]([C@H]1CC)CC3)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)C)C)CC2)CCC
Compound: ZHD-0501
SMILES: O=C1O[C@H]2[C@@]3(O[C@H](C[C@H]2N1C)N4C5=C(C=CC=C5)C=6C4=C7N3C8=C(C=CC=C8)C7=C9CNC(C69)=O)C
Compound: (2E,5E,7E,11E,9R,10R,13R,19S)-13,19-dihydroxyl-IT-143-A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C(=C/C(=C/[C@H]([C@@H](O)/C(=C/[C@@](O)([C@@H](O)C)C)/C)C)/C)/C)\C
Compound: Mangromicin B
SMILES: O=C1C(=C[C@H](O)[C@H]2O[C@@](CCC=3C(O[C@@H](C1)[C@@H](C3O)CCC)=O)(C)C[C@H]2C)C
Compound: Nostamide C
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)C(CC)C)CC3=CC=CC=C3)C)C
Compound: Didodecyl 3,3''-dithiodipropionate
SMILES: S(SCCC(=O)CCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCC
Compound: FGFC5
SMILES: O=C1NCCC[C@H]1N2C(=O)C=3C=C(O)C4=C(C3C2)C[C@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C4)O
Compound: Sonomolide A
SMILES: O=C1O[C@@H]2C[C@H]3[C@@H](C(=C)CC[C@@H]3[C@@]4([C@@]2([C@@]1([C@@H](O)CC4)C)O)C)C=C
Compound: Nostamide D
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)C(C)C)CC3=CC=CC=C3)C)C
Compound: Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene
SMILES: O=C1OC(=CC2=C1C=C3[C@]4(C=O)[C@@](C)(C4)[C@H]([C@H]5[C@]3(O2)CC(C)(C)C5)O)C
Compound: 10-Ketone piericidin A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C=C/C(=C/[C@H](C(=O)/C(=C/C)/C)C)/C)\C
Compound: 1beta,10alpha,13-Trihydroxyeremophil-7(11)-en-12,8beta-olide
SMILES: O=C1O[C@@H]2C[C@]3(O)[C@H](O)CC[C@@H]([C@]3(CC2=C1CO)C)C
Compound: FGFC6
SMILES: O=C1N(CC2=C1C=C(O)C3=C2C[C@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C3)O)CC(=O)O
Compound: [b-MePro] destruxin E chlorohydrin
SMILES: ClC[C@@H](O)CC1OC(=O)CCNC(=O)[C@@H](N(C(=O)[C@@H](N(C([C@@H](NC([C@H]2N(C1=O)CC[C@@H]2C)=O)C(CC)C)=O)C)C(C)C)C)C
Compound: 7-Demethylglucopiericidin 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
Compound: Nostamide E
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)C(CC)C)CC2=CC=CC=C2)C)CCC3=CC=CC=C3
Compound: FGFC7
SMILES: O=C1N([C@@H](C(=O)O)[C@@H](O)C)CC2=C1C=C(O)C3=C2C[C@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C3)O
Compound: Cupriachelin
SMILES: O=C(O)[C@@H](O)[C@H](NC(=O)CCCCCCCCC)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCN(O)C(=O)C[C@@H](O)C)[C@H](O)C(=O)O)CCN
Compound: Dankastatin A
SMILES: ClC=1C(=O)[C@@H](Cl)[C@H]2O[C@H](OC)[C@H](C[C@]2(C1)O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Compound: [(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl octadeca-9,12-dienoate
SMILES: O=C1C2[C@@]([C@@H](COC(=O)CCCCCCCC=CCC=CCCCCC)[C@@]3([C@H]1O3)C)(CCCC2(C)C)C
Compound: 7-Demethyl-13-hydroxyglucopiericidin 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/CO)/C)C)\C
Compound: Scirpyrane A
SMILES: O=C1O[C@@H](C)[C@@H]2C1=C(OC)[C@@H](O)[C@H](C=CC)O2
Compound: Namalide D
SMILES: O=C1NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)C(CC)C)CCC2=CC=CC=C2
Compound: Aquachelin I
SMILES: O=C(O)C(O)C(NC(=O)CC(O)CCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO
Compound: Microindolinone A
SMILES: O=C1C2=C(NC=C2)CC[C@H]1O
Compound: 9-Hydroxy-3-epi-perforenone A
SMILES: O=C1C(=C2[C@@](CC=C(C[C@H]2O)C)(C)[C@H]([C@H]1O)C)C
Compound: 13-Hydroxypiericidin A 10-O-alpha-D-galactose (1->6)-beta-D-glucoside
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@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO)/C(=C/CO)/C)C)/C)\C
Compound: Namalide E
SMILES: O=C1NC(C(=O)NCCCCC(C(NC1C(C)C)=O)NC(=O)NC(C(=O)O)C(CC)C)CCC2=CC=CC=C2
Compound: Bonnevillamide A
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)C=C(O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@@H](C(=O)OC)C[C@H]3C)C(C)C)CC(C)C)C[C@@H]([C@H]2C)OC(=O)C)CC(C)C)[C@H](O)C
Compound: Probotryane-4beta,9beta-diol
SMILES: O[C@@]12[C@@]3(CC([C@@H]1[C@@H](O)C[C@H]([C@@H]2CC3)C)(C)C)C
Compound: Eupenicinicol B
SMILES: O=C(/C=C/C)[C@@]1([C@@H]2[C@@H](C=C[C@@H]1[C@@H](CC)C)[C@H](O)[C@H](O)C[C@H]2C)C
Compound: Namalide F
SMILES: O=C1NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)C(C)C)CCC2=CC=CC=C2
Compound: Lobophorin A
SMILES: O=C1OC23[C@H](C=C(C(O[C@@H]4O[C@H]([C@@H](NC(=O)OC)[C@@](C4)(N)C)C)CC=C([C@@H]5[C@](C(=C1C2=O)O)([C@@H]6[C@H]([C@H](O[C@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)O)C)C)[C@H](C)C[C@H]6C)C=C5)C)C)C)C=C(CO)[C@H](C3)C
Compound: 13-Hydroxypiericidin A 10-O-alpha-D-glucose (1->6)-beta-D-glucoside
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@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)/C(=C/CO)/C)C)/C)\C
Compound: Bonnevillamide B
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)/C=C(\O)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@H](C(=O)O)CCC3)C(C)C)CC(C)C)C[C@@H]([C@H]2C)O)CC(C)C)[C@H](O)C
Compound: Lucknolide A
SMILES: O=C1O[C@](O)([C@H]2O[C@@H]([C@@H]3[C@H]2[C@H]1C=C3)O)CO
Compound: Cusperin A
SMILES: O=C(NCC(=O)N)[C@H]1N(C(=O)C([C@H](O)C(/C=C/NC(=O)[C@@H](O)[C@@]2(O[C@@H]([C@H](C)C(C2)=C)C)OC)C)C)CCC1
Compound: Nitrobacter ferritin
SMILES: S(CCC(N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC2=CC=C(O)C=C2)CC(=O)O)C(CC)C)C(C)C)CCCCN)CCC1)CC(=O)O)CCCCN)C
Compound: 3-Methyltridecan-4-one
SMILES: O=C([C@H](CC)C)CCCCCCCCC
Compound: 4'-O-beta-D-Glucose glucopiericidin A
SMILES: O1[C@H](OC2=C(OC)C(OC)=NC(=C2C)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)/C(=C/C)/C)C)/C)\C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Bonnevillamide C
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)/C=C(\O)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@H](C(=O)O)CCC3)C(C)C)CC(C)C)C[C@@H]([C@H]2C)OC(=O)C)CC(C)C)[C@H](O)C
Compound: Arenatin C
SMILES: O=C1C(OC)=C(C(=O)C2=C1C3=C(C=C(OC/C=C(/CO)\C)C(=C3)OC)C[C@H]2C(=C)C)C4=CC=C(O)C=C4
Compound: Hispolon
SMILES: O=C(/C=C(\O)/C=C/C1=CC(O)=C(O)C=C1)C
Compound: Cusperin B
SMILES: O=C(NCC(=O)N)[C@H]1N(C(=O)C([C@H](O)C(/C=C/NC(=O)[C@@H](O)[C@@]2(O[C@@H]([C@H](C)C(C2)=C)C)O)C)C)CCC1
Compound: Bulgarialactone B
SMILES: O=C1C=2C(=CC=3[C@]1(OC(=O)C3/C(/O)=C/C(=O)/C=C/C=C/C=C/C(CC)C)C)CC(CO)OC2
Compound: 4'-O-beta-D-Glucose 13-hydroxyglucopiericidin A
SMILES: O1[C@H](OC2=C(OC)C(OC)=NC(=C2C)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)/C(=C/CO)/C)C)/C)\C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: (S)-5-hydroxy-2,6-dimethyl-4H-furo[3,4-g]benzopyran-4,8(6H)-dione
SMILES: O=C1C2=C(O)C3=C(C(=O)O[C@H]3C)C=C2OC(=C1)C
Compound: 5-exo-Hydroxy-1,2-campholide
SMILES: C12(C)OC(CC(C1(C)C)[C@@H](C2)O)=O
Compound: Stagonolide C
SMILES: O=C1O[C@@H](C[C@H](O)C=C[C@H](CC1)O)C
Compound: (+)-6-O-demethylpestalotiopsin C
SMILES: O=C(O[C@@H]1[C@]23O[C@@H](O)[C@@H]([C@H]2CC3(C)C)[C@@H](OC)[C@@H](C=C(C1)C)O)C
Compound: Tutuilamide A
SMILES: Cl/C=C(/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N/C(/C(=O)N[C@@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)C(C)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](O)CC2)=C\C)[C@H](CC)C)C)\C
Compound: VM48642
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)CC6=COC=C6)O)C)C
Compound: 4,4'-dimethoxy-5,5'-dimethyl-7,7'-oxydicoumarin
SMILES: O=C1OC2=C(C(=CC(=C2)OC3=CC=4OC(=O)C=C(C4C(=C3)C)OC)C)C(=C1)OC
Compound: 4'-O-beta-D-Glucose piericidin A 10-O-alpha-D-glucose (1->6)-beta-D-glucoside
SMILES: O1[C@@H](O[C@@H](/C(=C/C)/C)[C@@H](/C=C(/C=C/C/C(=C/CC2=NC(OC)=C(OC)C(=C2C)O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)/C)\C)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO[C@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)O.O
Compound: 3-epi-waol A
SMILES: O=C1O[C@@H](/C=C/C)[C@H]2C1=C[C@H](O)[C@@H](/C=C/C)O2
Compound: Tutuilamide B
SMILES: Cl/C=C(/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N/C(/C(=O)N[C@@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)C(C)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](O)CC2)=C\C)C(C)C)C)\C
Compound: 5-Hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzofuran
SMILES: O1C2=C(C=C(O)C=C2)C=C1[C@@H](O)CCC=C(C)C
Compound: 5-Hydroxy-6-hydroxymethyl glucopiericidin A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C[C@H](O)[C@H](OC)/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: Nostopeptin B
SMILES: O=C1OC2C(N(C(=O)[C@@H](NC(=O)C)CCC(=O)N)CC2C)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=C(O)C=C4)C)=O)[C@H](CC)C)C3=O)O)CC(C)C
Compound: 7-(gamma,gamma-dimethylallyloxy)-5-methoxy-4-methylcoumarin
SMILES: O=C1OC2=C(C(=CC(=C2)OCC=C(C)C)C)C(=C1)OC
Compound: (3S,4R)-3,4-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SMILES: O=C1C2=C3C(=CC=C2C(=O)C4=C1C=CC=C4OC)[C@@H](O)[C@](O)(C)CC3=O
Compound: Rubrolide R
SMILES: O=C1O/C(=C\C2=CC(=C(O)C=C2)CC=C(C)C)/C(=C1)C3=CC=C(O)C=C3
Compound: Tutuilamide C
SMILES: Cl/C=C(/CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N/C(/C(=O)N[C@@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)C(C)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](O)CC2)=C\C)C(C)C)\CC
Compound: 5-Hydroxy-6-hydroxymethyl-13-hydroxyglucopiericidin A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C[C@H](O)[C@H](OC)/C(=C/[C@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)/C(=C/CO)/C)C)/C)\C
Compound: 24-hydroxylergosta-4,6,8(14),22-tetraen-3-one
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](C=CC(O)(C(C)C)C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: Cyclo-(L-leucyl-trans-4-hydroxy-L-prolyl-D-leucyl-trans-4-hydroxy-L-proline)
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(N[C@H]1CC(C)C)=O)C[C@@H](O)C3)CC(C)C)C[C@H](C2)O
Compound: Echoside B
SMILES: O=C(O)[C@H]1O[C@@H](OC2=C(C(O)=C(OC)C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)[C@H](O)[C@H]([C@@H]1O)O
Compound: Aestuaramide A
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N3[C@H](C=4SC=C(C(N[C@H](C(N5[C@H](C(N[C@H]2C(C)C)=O)CCC5)=O)CC6=CC=C(OC(C=C)(C)C)C=C6)=O)N4)CCC3)CCSC
Compound: (3S,5S)-3,5-diaminohexanoate
SMILES: C[C@H](N)C[C@H](N)CC([O-])=O
Compound: Pyrenocine L
SMILES: O=C1OC(=C(CO)C(=C1)OC)C[C@@H](OC(=O)C)CCC
Compound: 2-Hydroxymethyl-delta3, 4-glucopiericidin A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)CC(OC)/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: Strepchazolin A
SMILES: O=C(N1[C@H]2C(C([C@H](O)C)=C[C@@H]2O)=CCC1)C
Compound: Deoxaphomin B
SMILES: O=C1C=C[C@H](O)CCC[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3C(C)=C([C@H]2O)C)CC4=CC=CC=C4)C
Compound: Daidzein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@H]4OC(C(=O)O)=C[C@@H]([C@H]4O)O
Compound: Aestuaramide B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N3[C@H](C=4SC=C(C(N[C@H](C(N5[C@H](C(N[C@H]2C(C)C)=O)CCC5)=O)CC6=CC=C(O)C=C6)=O)N4)CCC3)CCSC
Compound: Strepchazolin B
SMILES: O=C(N1[C@H]2C(C([C@@H](O)C)=C[C@@H]2O)=CCC1)C
Compound: MaduropeptinChromophore
SMILES: ClC1=C2O[C@H]3C#CC=C(C4N(C(C[C@@H](C1=CC=C2OC)O)=O)C4)C#CC=5[C@@]3(OC6OCC(NC(=O)C7=C(O)C(=CC=C7C)C)C(C6O)(O)C)[C@@H](O)CC5
Compound: (11S,12R) Piericidin C1 10-O-beta-D-glucoside
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@]3(O[C@@H]3C)C)C)/C)\C
Compound: Chloroisosulochrin
SMILES: ClC1=C(O)C(=C(C(=O)OC)C=C1OC)C(=O)C2=C(O)C=C(C)C=C2O
Compound: (6R,10S)-10-methyl-6-dodecanolide
SMILES: O=C1O[C@H](CCCC1)CCC[C@H](CC)C
Compound: Pseudoaeruginosin NS2
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCC)CC2=CC=C(O)C=C2)C[C@H](C1)C
Compound: Myrocin F
SMILES: O=C1O[C@@]2(O)[C@@H](O)C3=C[C@@](C=C)(C)CC=C3[C@@]45C2[C@]1(CC[C@@H]4C5)C
Compound: (11R,12S) Piericidin C1 10-O-beta-D-glucoside
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@@]3(O[C@H]3C)C)C)/C)\C
Compound: 3beta-hydroxy-4,4,14alpha-trimethyl-5alpha-pregna-7,9(11)-diene-20S-carboxylic acid
SMILES: O=C(O)[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)CC1)C)C
Compound: methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate
SMILES: O=C1C(O)=C(C)[C@@]2([C@@]1(O)C[C@H]3C[C@@](C[C@@H]23)(C(=O)OC)C)C
Compound: 1-dehydroxyarthrinone
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@@]34[C@@]1(O3)COC4
Compound: Libertellenone M
SMILES: O=C1C2=C[C@@](C=C)(CC[C@]2(O)[C@]3(C=CC[C@@]4(C3=C1OC4=O)C)C)C
Compound: Pseudoaeruginosin NS1
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCC)CC2=CC=C(O)C=C2)C[C@H](C1)C
Compound: 13-Dimethoxy 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(OC)OC)/C)C)/C)\C
Compound: Reveromycin D 4' methyl ester
SMILES: O=C(O[C@]1([C@@H](O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)/C=C/C(=C/C(=O)O)/C)CCCCC)/C=C/C(=O)OC
Compound: 10-hydroxythujopsene
SMILES: O[C@@H]1C([C@]23[C@](CC=C([C@H]2C3)C)(C)CC1)(C)C
Compound: Erinacerin O
SMILES: O=C1C(C(=O)C)=CN([C@H](N=C(C(=O)O)[C@@H](O)C(CC)C)C(C)C)C(=C1)CO
Compound: Hydroxyl-ilicicolin H
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)[C@@H]3C=C([C@H]4CC[C@@H](C[C@@H]4[C@H]3/C=C/CO)C)C)O
Compound: Nostopeptolide L1
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H]([C@@H](NC(=O)/C(=C\CCC)/C)C(=O)N[C@H](C(NC(C(C(C(N3[C@H](C(N\C1=C\C)=O)C[C@H](C)C3)=O)C)=O)CC4=CC=CC=C4)=O)COC)C)C[C@H](C2)O)CCC(=O)N)[C@H](CC)C
Compound: 6-[3-acetamido-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
SMILES: O=C(O)C1OC(OC2C(O)C(OC(C2NC(=O)C)OC3C(OC(C(=O)N[C@H](C(=O)O)[C@H](O)C)C(C3O)O)OC4C(O)C(OC(C4NC(=O)C)OC)CO)CO)C(O)C(C1OC)O
Compound: Pestalotheol H
SMILES: O=C1C(=C[C@@H]2O[C@H](C[C@H]2C1)C(O)(C)C)CC=C(C)C
Compound: 22-acetylisocyclocitrinol A
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3C(O)([C@@H](OC(=O)C)/C=C/C)C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: 7,4′-dihydroxy-6-methoxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=C(OC)C(=C3)O[C@@H]4OC(C(OC)[C@H]([C@@H]4O)O)CO
Compound: Ilicicolin I
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)C=C[C@]3([C@H]4[C@](C=C[C@H]3C)(C[C@H](C)CC4)C)C)O
Compound: erythro-4-hydroxy-L-glutamic acid
SMILES: N[C@@H](C[C@@H](O)C(O)=O)C(O)=O
Compound: Cephaibol A2
SMILES: O=C(N1C(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC3=CC=CC=C3)CCC2)(C)C)CC(C1)O)C(NC(=O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC5=CC=CC=C5)(C)C)(C)C)(C)C)(C)C)C)CC(C)C)(CC)C)(C)C)CC(C4)O)CCC(=O)N)(CC)C
Compound: Isotorquatone
SMILES: O=C(C1=C(OC)C(=C(OC)C(=C1OC)C)C)[C@H](CC)C
Compound: Boletopsin B
SMILES: O=C(OC1=C(C(O)=C2OC3=C(C2=C1OC(=O)C)C=C(O)C(=C3)O)C4=CC(O)=C(O)C=C4)C
Compound: Nostopeptolide L2
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H]([C@@H](NC(=O)/C(=C\CCC)/C)C(=O)N[C@H](C(NC(C(C(C(N3[C@H](C(N\C1=C\C)=O)C[C@H](C)C3)=O)C)=O)CC4=CC=CC=C4)=O)COC)C)CCC2)CCC(=O)N)[C@H](CC)C
Compound: Pestacin
SMILES: O1[C@H](C2=C(O)C=CC=C2O)C=3C(O)=CC(=CC3C1)C
Compound: Opened  gamma-lactone ring of libertellenone M
SMILES: O=C1C(O)=C2[C@@](C=CC[C@]2(C(=O)O)C)(C)[C@@]3(C1=C[C@@](C=C)(CC3)C)O
Compound: 15-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c ][1]oxacyclododecine-1,12,13-trione
SMILES: O=C1O[C@@H](CCCCCCCC2=C1C(OC)=CC(=O)C2=O)C
Compound: Enokipodin G
SMILES: O=C1C=C([C@@]2(C(C[C@H](C2)O)(C)C)C)CC[C@@]1(O)C
Compound: Chartabomone
SMILES: O=C(C1=C(OC)C(=C(OC)C(=C1O)C)C)[C@H](CC)C
Compound: Nostopeptolide L3
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H]([C@@H](NC(=O)/C(=C\CCC)/C)C(=O)N[C@H](C(NC(C(C(C(N3[C@H](C(N\C1=C\C)=O)CCC3)=O)C)=O)CC4=CC=CC=C4)=O)COC)C)C[C@H](C2)O)CCC(=O)N)[C@H](CC)C
Compound: Stereumin E
SMILES: O=C1O[C@@H]2[C@@]3(O[C@H]3C[C@@H]4[C@@H]2C(=C1C)C(=O)C[C@H]4C)C
Compound: 5-hydroxycyclopenicillone
SMILES: O=C1C(=C([C@H](O)CC/C=C/C)[C@@H]([C@@]1(O)C)O)C
Compound: Dichotomone
SMILES: O=C(C1=C(OC)C(=C(O)C(=C1OC)C)C)[C@H](CC)C
Compound: Astropaquinone B
SMILES: O=C1C2=C(OC)C=C(OC)C=C2C(=O)C3=C1[C@@H](O[C@H](C3)C)OC
Compound: (R)-Torosachrysone
SMILES: O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C=C2C[C@](C1)(O)C
Compound: Nostopeptolide L4
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H]([C@@H](NC(=O)/C(=C\CCC)/C)C(=O)N[C@H](C(NC(C(C(C(N3[C@H](C(N\C1=C\C)=O)CCC3)=O)C)=O)CC4=CC=CC=C4)=O)COC)C)CCC2)CCC(=O)N)[C@H](CC)C
Compound: 5-O-alpha-L-rhamnosyltylactone
SMILES: O=C1C=CC(=C[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC)O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)C)O)CC)C)C
Compound: Saccharomonopyrone A
SMILES: O=C1OC(=C(C)C(=C1C)O)CCOCCCC
Compound: Mer-A 2026B
SMILES: O=C1C(=C(NC(=C1)OC)C/C=C(/C/C=C/C(=C/[C@H]([C@H](/C(=C/C)/C)C)C)/C)\C)C
Compound: Paeciloquinone C
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)CO
Compound: Azaphilone Multformin A
SMILES: O=C1C=C2C(=COC(=C2)[C@H]3C(=O)C=CC[C@@H]3C)[C@H]4[C@@]1(OC(=O)[C@H]4C(=O)C(CC)C)C
Compound: Nostoweipeptin W1
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](N(C(=O)C)C)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)C[C@@H](O)C4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Compound: Saccharomonopyrone B
SMILES: O=C1OC(=C(C)C(=C1C)O)CCCCC(C)C
Compound: 3,3,7,7-tetramethyl-1,2,5,6-tetrathiocane
SMILES: S1SCC(SSCC1(C)C)(C)C
Compound: Phomonol
SMILES: O=C(C[C@H]1O[C@H](C[C@H]([C@@H]1O)O)CCC)C
Compound: 5-(2'-hydroxypropyl)pyridin-3-OL
SMILES: OC1=CN=CC(=C1)C[C@@H](O)C
Compound: Saccharomonopyrone C
SMILES: O=C1OC(=C(C)C(=C1C)O)CCCCCCC
Compound: Myrothecol
SMILES: O1C(=C(C)C(=C1C)CO)[C@H]2OCC=3C2=C(OC)C=C(O)C3
Compound: Nostoweipeptin W2
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](N(C(=O)C)C)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)CCC4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Compound: Peaurantiogriseol B
SMILES: O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](CO)CC2)C)CCO
Compound: L-erythrose
SMILES: [H][C@](O)(CO)[C@]([H])(O)C=O
Compound: 3-acetyl ergosterol 5,8-endoperoxide
SMILES: O=C(O[C@@H]1C[C@@]23OO[C@]4([C@H]5[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC5)(C)CC[C@@H]4[C@@]2(C)CC1)C=C3)C
Compound: Solaniol
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)C(=C1C[C@@H](O)C)C)O
Compound: Terretonin I
SMILES: O=C1C=CC2(C3[C@]([C@@H]4C(=O)O[C@@](C(=O)OC)(C)C([C@]4(C)C(C3)=C)=O)(C)CC([C@@H]2C1(C)C)OC(=O)C)C
Compound: Paulomycin G
SMILES: S=C=N/C(/C(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](O)[C@H]([C@]2(O)C(O)=C(C(=N)C(C2)=O)C(=O)O)O[C@@H]1C)=C\C
Compound: Nobilamide G
SMILES: O=C/1O[C@@H]([C@@H](NC(=O)[C@@H](N[C@H](C(=O)C)C)CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(N[C@H](C(N\C1=C/C)=O)C)=O)C
Compound: Nostoweipeptin W3
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](N(C(=O)C)C)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)C[C@@H](O)C4)=O)CCC3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Compound: Spiculisporic acid E
SMILES: O=C1O[C@@](C(=O)O)([C@H](C(=O)O)CCCCCCCCCCOC(=O)C)CC1
Compound: 3-O-Acetyl-5-O-methylbotcinolide
SMILES: O=C1OC(C(OC(=O)/C=C/C(O)CCCC)C(C)C(C(C(C1C)OC(=O)C)(O)C)OC)C
Compound: Conocenolide A
SMILES: O=C1OC[C@@H](C1)/C(=C/2\[C@H](C=C)CC(C2)(C)C)/CO
Compound: 4,5-dihydro-17-O-demethylgeldanamycin
SMILES: O=C1NC=2C(O)=C(C(=O)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](CCC=C1C)OC)OC(=O)N)C)C)C
Compound: Bouillonamide A
SMILES: O=C1OC(CC(CC(=O)N(C=CCCC(C)C(N[C@H](C(N([C@H](C(N([C@H](C(N([C@H]1CC2=CC=CC=C2)C)=O)C(O)C)C)=O)CC3=CC=CC=C3)C)=O)C(C)C)=O)C)C)CC
Compound: Nostoweipeptin W4
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](NC(=O)C)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)C[C@@H](O)C4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Compound: 5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one
SMILES: O=C1O/C(=C/C=C/C)/C=C1/C=C/C
Compound: 6-chloro-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-ol
SMILES: ClC1=C(O)C=C2C[C@H](OC2=C1)C(O)(C)C
Compound: Rhytidenone E
SMILES: O=C1C2=CCCC3([C@@H]2[C@H](O)[C@@H](C1)OC)OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Trichormamide C
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)C)=O)[C@@H](O)C(C)C)=O)C(C)C)=O)CCCCCCC)[C@H](O)C)CC(C)C)CCC2)[C@H](O)C)CC(=O)N)[C@H](CC)C)C
Compound: Curvulone C
SMILES: O=C(O)CC1=C(C(O)=CC(=C1)O)C(=O)C[C@H]2O[C@H](CCC2)C
Compound: Nostoweipeptin W5
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](N(C(=O)C)C)CC6=CC=CC=C6)=O)CCC5)=O)C[C@@H](O)C4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Compound: Nitrosoxacin C
SMILES: ON=[N+]([O-])CCCCCCCCCCCC(C)C
Compound: Desferritriacetylfusigen-like antibiotic
SMILES: O=C1N(O)CCCC(NC(=O)C)C(=O)OCCCC(=CC(=O)N(O)CCCC(NC(=O)C)C(OCCC(=CC(N(CCCC(C(OCCC(=C1)C)=O)NC(=O)C)C)=O)C)=O)C
Compound: 5-fluorodeoxyuridine monophosphate
SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O