MonarchInit/C3PO huggingface dataset:
Compound: Anacyclamide A9P
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CO)=O)CC(C)C)=O)CC(=O)N)=O)CC(C)C)=O)CCCCN)CC(=O)O)CC(=O)O)CC3=CC=C(OCC=C(C)C)C=C3)CCC2
Compound: Ganoboninone B
SMILES: O=C1C2=C(C(=O)C[C@H]([C@@]2(CCC(=O)OC)C)[C@@]3(OC3)C)[C@@]4(CC[C@H]5[C@]4(C1=O)CO[C@]5(CCC(=O)CC)C)C
Compound: Penigainamide C
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34S[C@@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C
Compound: Bafilomycin F
SMILES: S1[C@H](C(=O)N[C@@H](C1)C(=O)O)CC(=O)O[C@H]2[C@@H]([C@H](O[C@@](C2)(O)[C@H]([C@H](O)[C@@H]([C@H]3OC(=O)C(OC)=CC(=C[C@H]([C@@H](O)[C@H](CC(=CC=C[C@@H]3OC)C)C)C)C)C)C)C(C)C)C
Compound: 26-deoxymonensin A
SMILES: O=C(O)[C@H]([C@@H](OC)[C@@H]([C@H]1O[C@]2(O[C@@]([C@H]3O[C@]([C@@H]4O[C@@H]([C@H]5O[C@](O)([C@H](C)C[C@@H]5C)C)C[C@@H]4C)(CC)CC3)(C)CC2)C[C@@H]([C@H]1C)O)C)C
Compound: Anacyclamide B10
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NCC(N[C@H](C(N3[C@H](C(N[C@H]1C(C)C)=O)CCC3)=O)CO)=O)=O)CC=4C5=C(C=CC=C5)NC4)[C@H](CC)C)C(C)C)CO)CO)CCC2
Compound: 1-O-(13-methyltetradecyl)-2-O-(13-methyltetradecanoyl)glycero-3-phosphatidylethanolamine
SMILES: P(=O)(OCC(OC(=O)CCCCCCCCCCCC(C)C)COCCCCCCCCCCCCC(C)C)(OCCN)O
Compound: Hypelcin B-III
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)CCC(=O)O)(CC)C)(C)C)C(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)C2N(C(=O)C(NC(=O)C)(C)C)CCC2)(C)C)C)(C)C)(C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)(C)C)(C)C
Compound: Phenamide
SMILES: O=C(O)[C@@H](NC(=O)CC(N)(C)C)CC1=CC=CC=C1
Compound: Sch 38519
SMILES: O=C1C2=C(C(=O)C3=C1[C@H](O[C@H]4[C@@H]3OC(=O)C4)C)C5=C([C@@]6([C@@H](O)[C@@H](C[C@H]5O6)N(C)C)C)C=C2O
Compound: Shuangdaolide A
SMILES: O=C1C(=CC=CC(=C[C@@H](O)C(=CCC(O[C@@H](C[C@@H]2[C@@H](C=C[C@@H]1O)O2)[C@@H]([C@@H]3O[C@@]4(OCC=C4)CC[C@H]3C)C)=O)C)C)C
Compound: 1,2-di-(13-methyltetradecanoyl)-3-(13-methyltetradecyl)glycerol
SMILES: O=C(O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COCCCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C
Compound: Pentenocin B
SMILES: O=C1C=CC(C1O)(O)C(O)C
Compound: Anacyclamide B7
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC([C@@H](NC([C@H]2N(C([C@@H](NC1=O)CC=3NC=NC3)=O)CCC2)=O)CC(C)C)=O)[C@H](CC)C)[C@H](CC)C)C
Compound: KS-502
SMILES: O=C(OC1=CC(O)=C(C(=O)O)C(=C1)CCCCCCC)C2=C(O[C@@H]3OC([C@H](O)CO)[C@@H]([C@H]3O)O)C=C(O)C=C2CCCCCCC
Compound: 1-Desoxyhypnophilin
SMILES: O=C1C(=C)[C@]2([C@H]3[C@H](CC(C3)(C)C)C[C@]42[C@@H]1O4)C
Compound: Shuangdaolide B
SMILES: O=C1O[C@H]([C@@H]([C@@H]2O[C@@]3(OCCC3)CC[C@H]2C)C)C[C@@H](O)C=C[C@H]4C(=O)C(O)=C([C@@H]4C=CC(=C[C@H](C(=CC1)C)O)C)C
Compound: DKxanthene 530
SMILES: O=C(NC(C(=O)O)CC(=O)N)/C(=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C
Compound: KS-501
SMILES: O=C(OC1=CC(O)=CC(=C1)CCCCCCC)C2=C(O[C@@H]3OC([C@H](O)CO)[C@@H]([C@H]3O)O)C=C(O)C=C2CCCCCCC
Compound: Fusarisetin A
SMILES: O=C1N([C@@H](CO)[C@]2([C@@]13C(=O)[C@]4([C@H]5[C@@H](C[C@H](C)CC5)C=C[C@H]4[C@@H]3[C@@H](C)O2)C)O)C
Compound: Anacyclamide B8
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H]1CO)=O)CC4=CC=CC=C4)=O)CCC3)=O)C)CCCN=C(N)N)CC=5C6=C(C=CC=C6)NC5)CC(=O)O)CCC2
Compound: Shuangdaolide C
SMILES: O=C1O[C@@H]([C@H]([C@@H](O)C[C@@H](O)C=C[C@H]2C(=O)C(O)=C([C@@H]2C=CC(=C[C@H](C(=CC1)C)O)C)C)C)[C@@H](CCC=3OC=CC3)C
Compound: 2,11-dihydroxy-1-methoxycarbonyl-9-carboxyxanthone
SMILES: O=C1C2=C(C(O)=CC=C2OC3=C1C(O)=CC(=C3)C(=O)O)C(=O)OC
Compound: DKxanthene 556
SMILES: O=C(NC(C(=O)O)CC(=O)N)/C(=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C
Compound: 28-epimutalomycin
SMILES: O=C(O)[C@@H]([C@@]1(O[C@@H]([C@@H](C)[C@H]([C@@H]1C)OC)[C@@H]([C@@H]2O[C@@]3(O[C@]([C@@H]4O[C@@]([C@H]5O[C@H]([C@H]6O[C@](O)([C@H](C)C[C@@H]6C)C)C[C@@H]5C)(C)CC4)(C)CC3)C[C@H]([C@H]2C)O)C)O)C
Compound: Shuangdaolide D
SMILES: O=C1O[C@@H]([C@H]([C@@H](O)C[C@@H](O)C=C[C@H]2C(=O)C(O)=C([C@@H]2C=CC(=C[C@H](C(=CC1)C)O)C)C)C)[C@@H](CCC(=O)/C=C/C)C
Compound: Carbazomycin C
SMILES: O(C1=C(O)C2=C(NC3=C2C=C(OC)C=C3)C(=C1C)C)C
Compound: Anacyclamide C10
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]1C(C)C)=O)=O)CC3=CC=CC=C3)=O)CC(=O)N)=O)CCC(=O)N)CC=4C5=C(C=CC=C5)NC4)CCC(=O)N)C)CO)CCC2
Compound: Monocerone
SMILES: O=C1OC2C(OC(C2)CC(=O)C)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Shuangdaolide E
SMILES: O=C1C(=CC=CC(=C[C@@H](O)C(=CCC(=O)O[C@@H]([C@H]([C@H](CC=CC=C[C@@H]1O)O)C)[C@@H](CCC(=O)/C=C/C)C)C)C)C
Compound: 2-epimutalomycin
SMILES: O=C(O)[C@H]([C@@]1(O[C@@H]([C@@H](C)[C@H]([C@H]1C)OC)[C@H]([C@@H]2O[C@@]3(O[C@]([C@H]4O[C@]([C@@H]5O[C@H]([C@@H]6O[C@](O)([C@@H](C)C[C@@H]6C)C)C[C@H]5C)(C)CC4)(C)CC3)C[C@H]([C@@H]2C)O)C)O)C
Compound: Tryptoquivaline K
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)O[C@]4(C3)C5=C(C=CC=C5)N6[C@@H]4N(C(=O)C)C7(CC7)C6=O
Compound: Micropeptin K139
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)CCCCC)CC(=O)O)C(=O)N[C@H](C(=O)NC2CCC(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)[C@@H](CC)C)C2=O)O)CCCN=C(N)N)C
Compound: Ustusolate B
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/C=C/C=C/CC(O)C)C
Compound: Anacyclamide C8
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)CC4=CC=C(O)C=C4)=O)CC=5NC=NC5)CCC(=O)N)[C@H](CC)C)C(C)C)CCC2
Compound: Shuangdaolides F
SMILES: O=C1C(=CC=CC(=C[C@@H](O)C(=CCC(=O)O[C@@H]([C@H]([C@H](CC=CC=C[C@@H]1O)O)C)[C@@H](CCC(=O)CCC)C)C)C)C
Compound: methyl 1-(methyl propionate)-beta-carboline-3-carboxylate
SMILES: O=C(OC)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)CCC(=O)OC
Compound: Xenocoumacin 1
SMILES: O=C1OC(C(NC(=O)C(O)C(O)C(N)CCCN=C(N)N)CC(C)C)CC=2C1=C(O)C=CC2
Compound: Isoeudistomine U
SMILES: N1=C(C=2NC=3C=CC=CC3C2CC1)C=4C5=C(C=CC=C5)NC4
Compound: Anacyclamide D10
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]1C(C)C)=O)=O)CC3=CC=CC=C3)=O)CC(=O)N)=O)CCC(=O)N)CC=4C5=C(C=CC=C5)NC4)CC=6NC=NC6)C)CC(=O)N)CCC2
Compound: Aspergilol C
SMILES: O[C@H]1[C@@]2(C=C3[C@@H](CC[C@H]4[C@@H](C)CCC4=C([C@H]3C[C@H]2[C@@H](C1)C(C)C)C)C)C
Compound: Bacithrocin B
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@@H](NC(=O)C(C)C)CC1=CC=CC=C1
Compound: beta1-Rhodomycinon
SMILES: O=C1C2=C(O)C3=C(C(O)C(O)(C)CC3)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: Zeamine II
SMILES: OC(CCN)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCC
Compound: Anacyclamide E10
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]1C(C)C)=O)=O)CC4=CC=CC=C4)=O)CC(=O)N)=O)CCC(=O)N)CC(C)C)CCC3)C)CC5=CC=C(O)C=C5)CCC2
Compound: Sesbanimide D
SMILES: O=C1NC(=O)CC(C1)C2OCOC(C2O)C(=O)C(C(=C)CO)C
Compound: Nikkomycin pseudo-J
SMILES: O=C1NC(=O)C([C@H]2O[C@@H]([C@@H](NC(=O)[C@H](N)[C@H]([C@@H](O)C3=NC=C(O)C=C3)C)C(=O)N[C@@H](C(=O)O)CCC(=O)O)[C@H]([C@H]2O)O)=CN1
Compound: Exserolide F
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)C[C@H](O)C[C@@H](O)CCC
Compound: Wbeta2219
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@@H]([C@H](O)C)C)=O)[C@H](CC)C)[C@H](CC)C)CC2=CC=CC=C2
Compound: Sesbanimide E
SMILES: O=C1NC(=O)CC(C1)CC(O)C(OC)C(=O)C(C(=C)CO)C
Compound: Frontalamide B
SMILES: O=C1NCCC(O)C2NC(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@@H]4[C@H]([C@@H]5[C@H]([C@@H](C=C)C[C@@H]5C4)C)C(C3)=O
Compound: Anacyclamide E10P
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]1C(C)C)=O)=O)CC4=CC=CC=C4)=O)CC(=O)N)=O)CCC(=O)N)CC(C)C)CCC3)C)CC5=CC=C(OCC=C(C)C)C=C5)CCC2
Compound: Nikkomycin pseudo-Z
SMILES: O=C1NC(=O)C([C@H]2O[C@@H]([C@@H](NC(=O)[C@@H](N)[C@@H]([C@@H](O)C3=NC=C(O)C=C3)C)C(=O)O)[C@H]([C@H]2O)O)=CN1
Compound: Phyllostictine A
SMILES: O=C1N(OC)C(=C)C2=C1[C@H](O)[C@](O)(C)[C@@H](O2)CCCCCCC
Compound: Sesbanimide F
SMILES: O=C1NC(=O)CC(C1)CC(O)C(OC)C(=O)C(C(=C)COC(=O)CCCCC/C=C/C=C/C(=O)O)C
Compound: Thiazinotrienomycin G
SMILES: S1C2=C3C(O)=C(NC(=O)CC(OC)C=CC=CC=CCC(C(C(C(=CCC3)C)O)C)OC(=O)C(NC(=O)C4CCCCC4)C)C=C2N=C1
Compound: Anacyclamide F10P
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CO)=O)CC4=CC=CC=C4)=O)CC(=O)O)=O)CO)=O)CCC3)CCCCN)CC(=O)N)CO)CC5=CC=C(O)C=C5)CCC2
Compound: Frontalamide A
SMILES: O=C1NCCC(O)C2NC(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@@H]4[C@H]([C@]5(O)[C@H]([C@@H](C=C)C[C@@H]5C4)C)C(C3)=O
Compound: Funiculolide A
SMILES: O=C1C=2C(=O)OCC2[C@]3(C[C@H]4[C@@]5([C@H](C(C(=O)CC5)(C)C)CC[C@@]4(OC3=C1)C)C)C
Compound: FR-900525
SMILES: O=C1N2C(C(=O)OC(/C(=C/C3CC(OC)C(O)CC3)/C)C(C(O)CC(=O)C(CC=C)C=C(CC(CC(C4OC(C1=O)(O)C(CC4OC)C)OC)C)C)C)CCC2
Compound: Microcystin-M(O)R
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC1=O)C(=O)O)C)=O)CCCN=C(N)N)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)C)=C)C)C
Compound: Erythromycin analogue
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@H](C(=O)[C@H](C)C[C@]([C@@H]([C@H]([C@@H]([C@H]1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)N(C)C)C)(O)C)C)C)CC4=CCCC4
Compound: Divergolide A
SMILES: O=C1O[C@@H](C=C[C@@H](CC[C@]23O[C@H](C=4C(=C(NC(CC=C1C)=O)C=C(O)C4)O2)[C@H](C)C(C3)=O)CC)C(O)C=C(C)C
Compound: Funiculolide B
SMILES: O=C1C=C2O[C@@]3([C@H]([C@@]4([C@H](C(C(=O)CC4)(C)C)CC3)C)C[C@]2(C)[C@H]5[C@@H]1C(=O)OC5)C
Compound: Lyngbyastatin 9
SMILES: O=C1N[C@H]2C(=O)N([C@@H](C(=O)N([C@@H](C(=O)N[C@@H](C(O[C@@H]([C@H](C(NC1=CC)=O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CCC)C)C(C)C)C)=O)C(C)C)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4)[C@@H](O)CC2
Compound: UCN-02
SMILES: O=C1N[C@H](O)C=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)NC)C)C8=C3C=CC=C8
Compound: Anteaglonialide A
SMILES: O=C1O[C@@H]([C@H]2C3(OC=4C=5C(C=CC4)=CC=CC5O3)CC[C@H](C2)O)[C@H](C1)O
Compound: Funiculolide C
SMILES: O=C1C=C2O[C@@]3([C@H]([C@@]4([C@H](C(C(=O)CC4)(C)C)[C@@H](C3)O)C)C[C@]2(C)[C@H]5[C@@H]1C(=O)OC5)C
Compound: Elansolid A3
SMILES: O=C1C=CC(=C[C@H]2[C@H](C(=C[C@@H]3[C@@H]2C(C[C@]3(O)C)(C)C)C)\C=C/C=C/C=C\[C@@H](O)[C@@H]([C@H](O)C/C=C(/C=C/C(=O)O)\C)C)C=C1
Compound: Lyngbyastatin 10
SMILES: BrC1=C(O)C=CC(=C1)C[C@H]2N(C(=O)[C@H](N3C(=O)[C@H](NC(=O)C(=CC)NC([C@@H]([C@H](OC([C@H](NC2=O)C(C)C)=O)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CCC)C)C(C)C)=O)CC[C@@H]3O)CC4=CC=CC=C4)C
Compound: Divergolide B
SMILES: O=C1O[C@@H](C=C(C)C)[C@@H](O)C=C[C@@H](CCC(=O)C=C2OC3=C(NC(CC=C1C)=O)C=C(O)C=C3C=C2C)CC
Compound: UCN-01
SMILES: O=C1N[C@@H](O)C=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)NC)C)C8=C3C=CC=C8
Compound: Funiculolide D
SMILES: O=C1C=C2O[C@@]3([C@H]([C@@]4([C@H](C(C)C)[C@@H](C3)O)[C@@H](O)C(=O)CC4)C[C@]2(C)[C@H]5[C@@H]1C(=O)OC5)C
Compound: L-692289
SMILES: O=C1N2[C@H](C(=O)NC[C@H](O)C[C@H](NC(=O)CCCCCCCCC(CC(CC)C)C)C(=O)N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H]1[C@H](O)CC(=O)N)=O)[C@H](O)CC4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)CC2
Compound: 9beta,10beta-Epoxyisotrichoverrin A
SMILES: O=C(OC[C@@]12[C@@]3([C@@]4(OC4)[C@H](O[C@@H]1[C@@H]5O[C@]5(C)CC2)C[C@H]3OC(=O)/C=C\C=C\[C@@H](O)[C@H](O)C)C)/C=C(/CCO)\C
Compound: Nodulapeptin C
SMILES: S(CCC1NC(=O)C(NC(=O)NC(C(=O)O)C(CC)C)CCCCNC(=O)C(NC(C(N(C(C(NC1=O)CCC2=CC=CC=C2)=O)C)CCC3=CC=C(O)C=C3)=O)COC(=O)C)C
Compound: Divergolide D
SMILES: O=C1O[C@@H](C=C[C@@H](CC(C=O)C=2C3=C([C@@]4([C@H](C=C1C)C(=O)NC4=CC3=O)O)C=C(C)C2O)CC)[C@@H](O)C=C(C)C
Compound: Alphostatin
SMILES: P(=O)(OC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](CC)C)[C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)N)(O)O
Compound: Andalusicin A
SMILES: S1CC2(NC(=O)C(NC(=O)\C(\NC(C(C2)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N/C(/C(=O)N/C(/C(=O)N/C(/C(=O)NC(C(=O)N/C(/C(=O)NC(C(=O)N/C(/C(=O)N/C(/C(=O)N/C(/C(=O)NC(C(=O)N/C(/C(=O)NC(C(=O)N(C)C)C)=C/C)C(CC)C)=C/C)=C\C)=C/C)CC=3C4=C(C=CC=C4)NC3)=C/C)C(C)C)=C/C)=C\C)=C/C)C(C)C)CC=5C6=C(C=CC=C6)NC5)C)=O)=C\C)C(CC)C)C(=O)NC(C(=O)NC(C(NC(C1)C(=O)O)=O)CC(=O)N)CC(=O)N
Compound: Penicitrinol I
SMILES: O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@H]3C[C@]1(O)C)C
Compound: Xialenone D
SMILES: O=C1C(O)=C(CC=C)[C@@H]2[C@@]1(O)CCC2=O
Compound: Prunipeptin
SMILES: O=C1NC(C(=O)NCC(=O)NC(C(=O)NC2C(=O)NC(C(=O)NC(CC=3N=CNC3)C(NC(C(NC(C(NC(CC(OCC(C(NC1C(O)C)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(N)CCC(=O)O)CC(C)C)C(O)C)C(O)C)C(O)C)=O)C(=O)O)=O)CC(=O)NCCCC2)=O)CC4=CC=CC=C4)=O)C(O)C)CO)C
Compound: MC-YM(O)
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(N(C(CC[C@@H](NC([C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)=O)C)=C)C)CC3=CC=C(O)C=C3)C(=O)O)C)C
Compound: Burkholdac A
SMILES: S1SCCC=CC2OC(=O)CC(C(NC(C(C1)NC(=O)C(NC(=O)C2)CCSC)=O)C(C)C)O
Compound: Trienomycin E
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](O)[C@@H](C)[C@@H](CC=CC=CC=C[C@H](C1)OC)OC(=O)[C@@H](NC(=O)CCC(C)C)C)C
Compound: Dermocanarin 10
SMILES: O=C1OC2=C(C=3C(=O)C4=C(C(OC)=CC(=C4)C)C(C3C(=C2)O)=O)C5=C(O)C6=C(OC)C=C(C=C6C=C5C[C@](C1)(O)C)OC
Compound: Nigrosporin A
SMILES: O=C1C2=C(O)C3=C(C[C@@H](O)[C@](C3)(O)C)C=C2C(=O)C=C1OC
Compound: Myxofacycline A
SMILES: O=C(O)CCCC1=NOC(=C1)CCCCCC(C)C
Compound: [Mdhb7]MC-LR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=CC)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: Trienomycin D
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C([C@@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@@H](NC(=O)C3=CCCCC3)C)C
Compound: 2-methyl-5,6-dihydro-4-pyrone
SMILES: O=C1C=C(OCC1)C
Compound: Myxofacycline B
SMILES: O=C(O)CCCC1=NOC(=C1)CCCCCCC
Compound: N-acetyl-2,4,10,17-tetrahydroxyheptadecylamine
SMILES: O=C(NCC(O)CC(O)CCCCCC(O)CCCCCCCO)C
Compound: Didemnin X
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@H](N(C(=O)[C@H]2N(C(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CCC(=O)N)CCC(=O)N)CCC(=O)O)C)CCC2)C)CC(C)C)C(=O)N[C@H]([C@@H](O)CC(=O)O[C@@H](C(C)C)C([C@@H](C(N[C@H](C(N3[C@H](C(N([C@H]1CC4=CC=C(OC)C=C4)C)=O)CCC3)=O)CC(C)C)=O)C)=O)[C@H](CC)C)C
Compound: Myxofacycline C
SMILES: O=C(O)CCCC1=NOC(=C1)C(=O)CCCCC(C)C
Compound: Anabaenopeptin B1
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)CCCCN=C(N)N)CC3=CC=CC=C3)C)C
Compound: Emethallicin A
SMILES: S1S[C@]23N([C@@H]4[C@@H](OC(=O)CC5=CC=CC=C5)C=CC=C4C2)C([C@]16N([C@@H]7[C@@H](OC(=O)[C@H](O)C8=CC=CC=C8)C=COC=C7C6)C3=O)=O
Compound: Nitracidomycin B
SMILES: O=C(N[C@H]([C@H](O)[C@H](C(=O)O)CC)C(C)C)/C=[N+](/OC)\[O-]
Compound: Myxofacycline D
SMILES: O=C(O)CCCC1=NOC(=C1)[C@@H](O)CCCCC(C)C
Compound: Didemnin Y
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@H](N(C(=O)[C@H]2N(C(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)O)C)CCC2)C)CC(C)C)C(=O)N[C@H]([C@@H](O)CC(=O)O[C@@H](C(C)C)C([C@@H](C(N[C@H](C(N3[C@H](C(N([C@H]1CC4=CC=C(OC)C=C4)C)=O)CCC3)=O)CC(C)C)=O)C)=O)[C@H](CC)C)C
Compound: Tricholomalide C
SMILES: O=C1O[C@@]2(C(=C)CO)C=C3C(=O)C[C@H]([C@]3(C)C[C@H]([C@]2(C1)C)O)C(C)C
Compound: Guineamide G
SMILES: O=C1NC(C(=O)N(C(C(=O)N2C(C(=O)N(C(C(NCC(OC(C1(C)C)CCCC#C)=O)=O)CC3=CC=CC=C3)C)CCC2)CC4=CC=CC=C4)C)C(C)C
Compound: Trichobotrysin B
SMILES: O=C/1N([C@H](C(C)C)C(\C1=C(\O)/[C@@H]2[C@H](C(=C[C@H]3[C@H]2[C@H](CCC3)C)C)[C@@]4(O[C@H]4C)C)=O)C
Compound: Myxofacycline E
SMILES: O=C1NC(=NC(=C1)CCCC(=O)O)CCCCC(C)C
Compound: Nitracidomycin A
SMILES: O=C(N[C@@H]([C@H](O)[C@@H](C(=O)O)C)C(C)C)/C=[N+](/OC)\[O-]
Compound: Pellasoren B
SMILES: O=C1O[C@H]([C@H](C)C[C@@H]1C)[C@@H](C/C=C/C(=C\C(=C\[C@@H](NC(=O)/C(/OC)=C/CC)C)\C)/C)C
Compound: Piricyclamide 7005E1
SMILES: S(CC[C@@H]1NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC1=O)CO)=O)=O)C(C)C)=O)CC(=O)O)=O)CC3=CC=C(OC/C=C(\CCC=C(C)C)/C)C=C3)CC4=CC=C(O)C=C4)CC(=O)N)CCC2)C
Compound: Myxofacycline F
SMILES: O=C1NC(=NC(=C1)CCCC(=O)O)CCCCCC
Compound: Chartarutine D
SMILES: S(=O)(=O)(OC1=C(C(O)=CC2=C1CN=C2N)CC=C(CCC=C(CCC=C(C)C)C)C)O
Compound: Tolaasin B
SMILES: O=C1OC(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(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)/C(/NC(=O)CC(O)CCCCC)=C/C)CCC2)CO)CC(C)C)C(C)C)CO)CC(C)C)C(C)C)C(C)C)CCC(=O)N)CC(C)C)C(C)C)=C/C)C(=O)NC(C(=O)NC(C(NC(C(NC1CCCCN)=O)CCN)=O)CCO)C(C)C)C
Compound: Cirramycin F-2
SMILES: O=C1C=CC2(OC2C(C(OC(=O)CC(C(C(C(CC1C)CC=O)OC3OC(C(O[C@H]4O[C@H]([C@H](O)CC4)C)C(C3O)N(C)C)C)C)O)CC)C)C
Compound: Pellasoren A
SMILES: O=C1O[C@@H]([C@@H](C)C[C@H]1C)[C@H](C/C=C/C(=C/C(=C/[C@@H](NC(=O)/C(/OC)=C/CC)C)/C)/C)C
Compound: Myxofacycline G
SMILES: O=C1C=C(CCCC(=O)O)N[C@]1(O)CCCCC(C)C
Compound: Piricyclamide 7005E1-M(O)
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC1=O)CO)=O)=O)C(C)C)=O)CC(=O)O)=O)CC3=CC=C(OC/C=C(\CCC=C(C)C)/C)C=C3)CC4=CC=C(O)C=C4)CC(=O)N)CCC2)C
Compound: (3R,4R)-4-hydroxy-de-O-methyllasiodiplodin
SMILES: O=C1O[C@@H]([C@H](O)CCCCCCC=2C1=C(O)C=C(O)C2)C
Compound: Cochlione C
SMILES: O=C1C2=C(OC(C1)(C)C)[C@@H](O)[C@H](O)[C@@H]3[C@H]2O3
Compound: Cirramycin F-1
SMILES: O=C1C=CC2(OC2C(C(OC(=O)CC(C(C(C(CC1C)CC=O)OC3O[C@@H](C(OC4O[C@@H]([C@H](O)CC4)C)[C@@H]([C@H]3O)N(C)C)C)C)O)CC)C)C
Compound: Biarylitide YYH
SMILES: O=C1NC(C(=O)NC(C(=O)O)CC2=CN=C(C=3C=C(CC1NC(=O)C)C=CC3O)N2)CC4=CC=C(O)C=C4
Compound: Luminmide B
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC(C)C)=O)CC(C)C)CC(C)C)CC(C)C
Compound: Condidymic acid
SMILES: O=C(O)C1=C(O)C=C2OC=3C(C2=C1CCCCC)=C(C=C(OC)C3)CCCCC
Compound: Piricyclamide 7005E2
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]1CCCN=C(N)N)=O)[C@H](O)C)=O)=O)CC(=O)O)=O)C)=O)CC(C)C)=O)CC(C)C)[C@H](CC)C)CC=4C5=C(C=CC=C5)NC4)CCC3)C)CC(=O)N)CCCCN)CCC2
Compound: (1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid
SMILES: O=C1C2=C(OC=C1[C@@H](O)CC(=O)C)C=C(O)C=C2C(=O)O
Compound: Ankinomycin
SMILES: O=C1C2=C3OC(=CC(C3=C(C)C=C2C(=O)C=4C1=C(O)C(=CC4)[C@H]5O[C@H]([C@H](O)[C@@](C5)(N(C)C)C)C)=O)[C@]6(O[C@H]6[C@@H]7O[C@H]7C)C
Compound: Bicornutin A1
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC(C)C
Compound: Biarylitide YFH
SMILES: O=C1NC(C(=O)NC(C(=O)O)CC2=CN=C(C=3C=C(CC1NC(=O)C)C=CC3O)N2)CC4=CC=CC=C4
Compound: Cyclo-(L-tyrosyl-trans-4-hydroxy-L-proline)
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC3=CC=C(O)C=C3)C[C@H](C2)O
Compound: Applanatin B
SMILES: O=C1C2=C(O[C@@]3([C@@H]1CC[C@@H](C3=O)C(CO)C)O)C=CC(=C2)O
Compound: Piricyclamide 7005E3
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)CNC(=O)[C@H](CO)NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@H](NC1=O)CCC(=O)N)=O)[C@H](O)C)=O)=O)CO)=O)CC3=CC=C(O)C=C3)=O)CCC2)CC(=O)N)CCC(=O)O)CC4=CC=CC=C4)C
Compound: Thioangucycline A
SMILES: S(C1=C2C(=C3C(=O)C[C@@](CC3=C1)(O)C)[C@@H](O)C=4C=CC=C(C4[C@H]2O)OC)C5=C6C(=C7C(=O)C[C@@](CC7=C5)(O)C)[C@@H](O)C=8C=CC=C(C8[C@H]6O)OC
Compound: Endusamycin
SMILES: O=C(O)[C@H](C[C@H](C(=O)/C(=C/[C@@H]([C@H]1O[C@]2(O[C@@]([C@@H]3OC4(O[C@@H]([C@@H]5O[C@@](O)([C@@H](C)C[C@H]5C)CO)C[C@@H]4C)[C@H](C)CC3)(C)[C@@H](C2)O[C@@H]6O[C@@H]([C@@H](OC)CC6)C)C[C@@H]([C@H]1C)O)C)/C)C)C
Compound: Bicornutin A2
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCC1=CC=CC=C1)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC(C)C
Compound: Naquihexcin B
SMILES: S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CCO)C)=O)[C@]45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO)C)=O
Compound: Lipoamicoumacin D
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2OC(=O)C[C@@H]2NC(=O)[C@@H](NC(=O)CCCCCCCCC(CC)C)CCC(=O)N)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Piricyclamide 7005E4
SMILES: S1SC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C1)NC(=O)[C@@H](NC(=O)[C@H](NC([C@H]3N(C([C@@H](NC2=O)CC4=CC=C(O)C=C4)=O)CCC3)=O)[C@H](O)C)CC5=CC=CC=C5)=O)CC(=O)O)=O)CC(C)C)=O)C)=O)[C@H](O)C)CCCCN)CCC(=O)N
Compound: Thioangucycline B
SMILES: S(C1=C2C(C(=O)C=3C=CC=C(C3[C@H]2O)OC)=C4C(=O)C[C@@](CC4=C1)(O)C)C5=C6C(=C7C(=O)C[C@@](CC7=C5)(O)C)[C@@H](O)C=8C=CC=C(C8[C@H]6O)OC
Compound: acetyl phosphate(2-)
SMILES: CC(=O)OP([O-])([O-])=O
Compound: Resorcinomycin B
SMILES: O=C(NCC(=O)O)[C@@H](N=C(N)N)C1=CC(O)=C(CC)C(=C1)O
Compound: Jagaricin
SMILES: O=C/1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(N[C@@H](C(N[C@@H](C(N\C1=C\C)=O)CC2=CC=C(O)C=C2)=O)[C@@H](O)C)=O)NC(=O)/C(/NC(=O)C[C@@H](O)CCCCCCCCCCC)=C/C)C)CC=3NC=NC3)[C@@H](O)C)CCC(=O)N
Compound: Helicascolide C
SMILES: O=C1O[C@@H](/C(=C/C)/C)[C@H](C)C(C1(C)C)=O
Compound: Thioangucycline C
SMILES: S(C1=C2C(=O)C3=C(OC)C=CC=C3C(C2=C4C(=O)C[C@@](CC4=C1)(O)C)=O)C5=C6C(=C7C(=O)C[C@@](CC7=C5)(O)C)[C@@H](O)C=8C=CC=C(C8[C@H]6O)OC
Compound: Dragonamide D
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)CC(=O)CCCC#C)C)C(C)C)C)C(C)C
Compound: Resorcinomycin A
SMILES: O=C(NCC(=O)O)[C@@H](N=C(N)N)C1=CC(O)=C(C(C)C)C(=C1)O
Compound: Piricyclamide FAIFLLLP
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC(C)C)=O)CC3=CC=CC=C3)[C@H](CC)C)C)CC4=CC=CC=C4)CCC2
Compound: Thioangucycline D
SMILES: S(C=1C=2C(=O)C3=C(OC)C=CC=C3C(C2C4=C(O)C=C(C=C4C1)C)=O)C5=C6C(=C7C(=O)C[C@@](CC7=C5)(O)C)[C@@H](O)C=8C=CC=C(C8[C@H]6O)OC
Compound: Zeamine I
SMILES: O=C(NCCC(O)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCC)CC(O)C(N)C(C)C
Compound: Cardinalic acid
SMILES: O=C1C2=C(O)C(O)=C(OC)C=C2C(=O)C3C1C(O)=C(C(C)=C3)C(=O)O
Compound: PI-083
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@@]3(O)C(=O)C[C@@](OC5OC(C(OC6OC(C(=O)C=C6)C)CC5)C)(C)C4)O)C7O[C@@H]([C@H]8OC9O[C@@H](C)[C@@H](C[C@@H]9O[C@@H]8C7)O)C
Compound: Mabetaarinin A
SMILES: O=C(C1=C2OC(C=CC2=CC=C1O)(C)C)C3=C(O)C=C(C)C(=C3C=O)OC
Compound: Piricyclamide GTHLYTITP
SMILES: O=C1N2[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1[C@H](O)C)=O)[C@H](CC)C)=O)[C@H](O)C)=O)CC3=CC=C(O)C=C3)=O)CC(C)C)CC=4NC=NC4)[C@H](O)C)CCC2
Compound: Thioangucycline E
SMILES: S(C=1C=2C(=O)C3=C(OC)C=CC=C3C(C2C4=C(O)C=C(C=C4C1)C)=O)C5=C6C(C(=O)C=7C=CC=C(C7[C@H]6O)OC)=C8C(=O)C[C@@](CC8=C5)(O)C
Compound: Phthoramycin
SMILES: O=C1O[C@H]2[C@@H]([C@H](O[C@]3(C2)O[C@H]([C@@H](C)CC3)C[C@H](O)CC)C[C@]4(OC[C@@H](C)C[C@H]4C=CCCC[C@]([C@@H](C[C@H]([C@H]([C@H]([C@](C=C1)(O)C)O)C)O)O)(O)C)O)C
Compound: 7-O-methylkoninginin D
SMILES: O=C1C2=C(O[C@H]([C@@H](O)CCCCCC)C[C@H]2OC)[C@H](O)CC1
Compound: Ganomycin B
SMILES: O=C(O)/C(=C\CC1=C(O)C=CC(=C1)O)/CC/C=C(/CCC=C(C)C)\C
Compound: Piricyclamide ILGEGEGWNYNP
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CC=4C5=C(C=CC=C5)NC4)=O)=O)CCC(=O)O)CCC(=O)O)CC(C)C)[C@H](CC)C)CCC2
Compound: Delftibactin B
SMILES: O=C1N(O)CCCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(/NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(O)C(N)C)C)C(O)C(=O)O)C(O)C)=C/C)CCCN(O)C(=O)C)CO)CCCN=C(N)N
Compound: Sandarazol A
SMILES: O=C1N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/[C@H]2O[C@H]2C(=O)C=C(C)C)CN(C)C)C(C)C)[C@@H](CC(C)C)C(=C1C)O
Compound: N-methyltyrosyl-N-methyltyrosyl-leucyl-alanine
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC)CC1=CC=C(O)C=C1)C)CC2=CC=C(O)C=C2)CC(C)C)C
Compound: Aranorosin
SMILES: O=C1[C@H]2O[C@H]2C3(O[C@@H](O)[C@H](C3)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C)[C@@H]4[C@H]1O4
Compound: Fusaridione A
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C([C@]1(C(=O)/C=C/C(=C/C=C/C(=C/C(=C/C)/C)/C)/C)C)=O
Compound: Xylapyrone D
SMILES: O=C1OC(=CC(=C1)OC)[C@@H](O)CCCCO
Compound: Piricyclamide SQWGWRGLSDP
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H]1CC(=O)O)=O)CO)=O)CC(C)C)=O)=O)CCCN=C(N)N)=O)CC=3C4=C(C=CC=C4)NC3)CC=5C6=C(C=CC=C6)NC5)CCC(=O)N)CO)CCC2
Compound: Sandarazol B
SMILES: O=C1N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/[C@H]2O[C@H]2C(=O)CC(C)C)CN(C)C)C(C)C)[C@@H](CC(C)C)C(=C1C)O
Compound: Sandarazol E
SMILES: O=C1N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/C=C/C(=O)C=C(C)C)CN(C)C)C(C)C)[C@@H](CC(C)C)C(=C1C)O
Compound: Cyclogregatin
SMILES: O=C1C2=C(O[C@H](C1)C)O[C@@](C2=O)(/C=C\C=C\CC)C
Compound: Diaporthalasin
SMILES: O=C1NC(CC2=CC=C(O)C=C2)=C3[C@]14C(=O)[C@H]5[C@H]6[C@](C[C@H](C)CC6)(C)C=C([C@H]5[C@]4(C=C([C@H]3C)C)C)C
Compound: Surugapyrone A
SMILES: O=C1OC(=CC(=C1C)O)C(C)C
Compound: (3R,5S)-5-(4-hydroxybenzyl)-3-methyl-3-((2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl)pyrrolidine-2,4-dione
SMILES: O=C(O)[C@H](NC(=O)C(C(=O)/C=C/C(=C/C=C/C(=C/C(=C/C)/C)/C)/C)C)CC1=CC=C(O)C=C1
Compound: Piricyclamide TLGCM(O)NGTERCLGLP
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@H]2NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(CNC([C@@H](NC([C@H](CSSC2)NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC(CNC([C@@H](NC1=O)CC(=O)N)=O)=O)[C@H](O)C)=O)CCC(=O)O)CCCNC(=N)N)=O)CC(C)C)=O)=O)CC(C)C)CCC3)[C@H](O)C)CC(C)C)C
Compound: Sandarazol F
SMILES: O=C1N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/CCC(=O)C=C(C)C)CN(C)C)C(C)C)[C@@H](CC(C)C)C(=C1C)O
Compound: Fibrostatin C
SMILES: S(CC1=C(O)C=2C(=O)C=C(OC)C(C2C=C1OC)=O)C[C@H](NC(=O)C)C(=O)O
Compound: Sandarazol G
SMILES: O=C1N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/CCC(=O)CC(C)C)CN(C)C)C(C)C)[C@@H](CC(C)C)C(=C1C)O
Compound: Astraodoric acid A
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)\C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Piricyclamide TLGCMNGTERCLGLP
SMILES: S1SC[C@H]2NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C([C@@H](NC(CNC([C@@H](NC([C@H](C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(CNC([C@@H](NC([C@@H](NC2=O)CCSC)=O)CC(=O)N)=O)=O)[C@H](O)C)CCC(=O)O)CCCNC(=N)N)=O)CC(C)C)=O)=O)CC(C)C)=O)CCC3)[C@H](O)C)CC(C)C
Compound: Neosartoricin B
SMILES: O=C1C2=C(O)C3=C(O)C=C(O)C=C3C(=C2C[C@@]([C@@H]1O)(O)CC(O)=CC(=O)C)CC=C(C)C
Compound: Acremonone B
SMILES: O=C1OC[C@](O)(C(=O)C)C=2C1=C(O)C=C(OC)C2C
Compound: Sandarazol C
SMILES: ClC(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/[C@H]1O[C@H]1C(=O)C=C(C)C)CN(C)C)C(C)C)CC(C)C)C
Compound: Fibrostatin A
SMILES: S(CC1=C(O)C=2C(=O)C(=CC(C2C=C1OC)=O)C)C[C@H](NC(=O)C)C(=O)O
Compound: Porritoxin sulfonic acid
SMILES: S(=O)(=O)(O)CCN1C(=O)C=2C=C(OCC=C(C)C)C(=C(C2C1)OC)C
Compound: Photopyrone A
SMILES: O=C1OC(=CC(=C1CCCCCC)O)CC(C)C
Compound: Anabaenopeptin 933
SMILES: S(=O)(CCC1NC(=O)C(N(C(=O)C(NC(=O)C(C(C)C)NC(C(CCCCNC1=O)NC(=O)NC(C(=O)O)CC2=CC=CC=C2)=O)CCC3=CC=C(O)C=C3)C)CCC4=CC=C(O)C=C4)C
Compound: Sandarazol D
SMILES: ClC(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C/C=C/[C@H]1O[C@H]1C(=O)CC(C)C)CN(C)C)C(C)C)CC(C)C)C
Compound: Trichoether B
SMILES: O=C([C@H](OCC1=C(O)C=CC=C1CCC)/C(/C=O)=C/C=C/C=C/C)C
Compound: Fibrostatin B
SMILES: S(CC1=C(O)C=2C(=O)C(=C(OC)C(C2C=C1OC)=O)C)C[C@H](NC(=O)C)C(=O)O
Compound: Photopyrone B
SMILES: O=C1OC(=CC(=C1CCCCC(C)C)O)CC(C)C
Compound: Hydrazidomycin B
SMILES: O=C(N(NC(=O)COC)/C=C\CCCCC/C=C\CCCCCCC)CCCCCCCCC
Compound: Hapalosin C
SMILES: O=C1O[C@H](C(=O)N([C@H](C(=O)CC(O[C@@H]([C@@H]1C)CCCCCCC)=O)CC2=CC=CC=C2)C)C(C)C
Compound: Penicillixanthone B
SMILES: O=C1C2=C(O)C3=C(C(C4=C(O)C=5C(O)=C6C(=O)C[C@@H](C)[C@H]([C@@]6(C(=O)OC)OC5C=C4)O)=CC=C3O)O[C@]2(C(=O)OC)[C@H](O)[C@@H](C1)C
Compound: Nodulapeptin 883b
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)CC3=CC=CC=C3)COC(=O)C)CCC4=CC=CC=C4)C
Compound: Fibrostatin D
SMILES: S(CC1=C(O)C=2C(=O)C(=C(OC)C(C2C=C1O)=O)C)C[C@H](NC(=O)C)C(=O)O
Compound: Anguinomycin D
SMILES: O=C1OC(/C=C/C(=C\C(C/C=C/C(=C/C(C(=O)C(C(O)C(C/C(=C/C)/C)C)C)C)/C)C)/CC)CC=C1
Compound: Photopyrone C
SMILES: O=C1OC(=CC(=C1CCCCCCCC)O)CC(C)C
Compound: Hapalosin D
SMILES: O=C1N([C@H]([C@H](O)CC(=O)O[C@@H](CC(O[C@H]1C(C)C)=O)CCCCCCC)CC2=CC=CC=C2)C
Compound: Hapalosin E
SMILES: O=C1O[C@H](C(=O)N([C@H]([C@H](O)CC(O[C@@H]([C@@H]1C)CCCCCCC)=O)CC2=CC=CC=C2)C)CC
Compound: (6RS,10SR)-6,10-dimethylbicyclo[4.4.0]dec-1-en-3-one
SMILES: O=C1C=C2[C@@](CCC[C@@H]2C)(C)CC1
Compound: Nodulapeptin 881b
SMILES: S(CCC1NC(=O)C(N(C(=O)C(NC(=O)C(C(CC)C)NC(C(CCCCNC1=O)NC(=O)NC(C(=O)O)C(CC)C)=O)CCC2=CC=CC=C2)C)CCC3=CC=C(O)C=C3)C
Compound: 7-O-Demethylcelesticetin C
SMILES: S(C1OC(C(O)C(C1O)O)C(NC(=O)C2N(CCC2)C)C(O)C)CCOC(=O)C3=C(N)C=CC=C3
Compound: Photopyrone D
SMILES: O=C1OC(=CC(=C1CCCCCCC(C)C)O)CC(C)C
Compound: Fibrostatin E
SMILES: S(CC1=C(O)C=2C(=O)C(=CC(C2C=C1OC)=O)CO)C[C@H](NC(=O)C)C(=O)O
Compound: Hapalosin F
SMILES: O=C1O[C@H](C(=O)N([C@H]([C@H](O)CC(O[C@@H]([C@@H]1C)CCCCC)=O)CC2=CC=CC=C2)C)C(C)C
Compound: Saquayamycin B1
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O)(C)C4)O)[C@@H]5O[C@@H]([C@H]6O[C@@H]7O[C@@H](C)C(C[C@@H]7O[C@@H]6C5)=O)C
Compound: Photopyrone E
SMILES: O=C1OC(=CC(=C1CCCCCCCCCC)O)CC(C)C
Compound: Nodulapeptin 879
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)COC(=O)C)CCC3=CC=C(O)C=C3)C
Compound: Fiscalin B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@H]2CC=4C5=C(C=CC=C5)NC4)=O)C(C)C
Compound: Fibrostatin F
SMILES: S(CC1=C(O)C=2C(=O)C(=C(OC)C(C2C=C1OC)=O)CO)C[C@H](NC(=O)C)C(=O)O
Compound: Hapalosin G
SMILES: O=C1O[C@H](C(=O)N([C@H]([C@H](O)CC(O[C@@H]([C@@H]1C)CCCCCCC)=O)CC2=CC=CC=C2)C)C
Compound: Terretonin F
SMILES: O=C1O[C@@H](C(=O)[C@@]2([C@]1(C(=O)OC)[C@@]3(C(=O)C(O)=C4C(C(=O)C=C[C@@]4([C@H]3CC2=C)C)(C)C)C)C)C
Compound: Nigrosporapyrone C
SMILES: O=C1OC(=CC(=C1C=O)NCCO)[C@H]2[C@H]3[C@@H](C=C[C@@H]2C)C[C@H](O)CC3
Compound: Photopyrone F
SMILES: O=C1OC(=CC(=C1CCCCCCCCC(C)C)O)CC(C)C
Compound: Nodulapeptin 883a
SMILES: S(CCC1NC(=O)C(NC(=O)NC(C(=O)O)C(CC)C)CCCCNC(=O)C(NC(C(N(C(C(NC1=O)CCC2=CC=CC=C2)=O)C)CCC3=CC=CC=C3)=O)CCSC)C
Compound: Thrazarine
SMILES: O=C(OCC(N)C(=O)O)C(=[N+]=[N-])C(O)C
Compound: Nocuolactylate A
SMILES: ClCCCCCCCC/C=C/CC(=O)O[C@H](C(=O)OCCC(=O)N1O[C@@H](CC(=N1)CCCCC)CCCCC)C
Compound: methyl aeruginosate C
SMILES: O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3C([C@]2(C1)C)=CC[C@@]4([C@@H]([C@@H](CC[C@@H](O)C(O)(C)C)C)CC[C@@]34C)C)(C)C)CC(O)(CC(=O)OC)C
Compound: B-90063
SMILES: S(SC1=C(NC(C=O)=CC1=O)C=2N=C(CCCCC)OC2)C3=C(NC(C=O)=CC3=O)C=4N=C(CCCCC)OC4
Compound: Photopyrone G
SMILES: O=C1OC(=CC(=C1CCCCCCCCCCCC)O)CC(C)C
Compound: Nodulapeptin 881a
SMILES: S(CCC1NC(=O)C(NC(=O)NC(C(=O)O)C(CC)C)CCCCNC(=O)C(NC(C(N(C(C(NC1=O)CCC2=CC=CC=C2)=O)C)CCC3=CC=CC=C3)=O)COC(=O)C)C
Compound: Octacosamicin B
SMILES: O=C(NCC(=O)O)C(O)C(O)CC(O)CC(O)C(CCC/C=C/C=C/CCCC(=O)/C=C/C=C/CCCCCN(O)C(=N)N)C
Compound: Nocuolactylate B
SMILES: ClC(Cl)CCCCCCC/C=C/CC(=O)O[C@H](C(=O)OCCC(=O)N1O[C@@H](CC(=N1)CCCCC)CCCCC)C
Compound: Microviridin M
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC(C)C)NC([C@H]([C@H](OC(C[C@H]4C(N[C@H](C(N[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H]5N(C(=O)[C@H](CC6=CC=C(O)C=C6)NC3=O)CCC5)C(=O)N4)=O)CC=7C8=C(C=CC=C8)NC7)=O)=O)C)NC(=O)[C@@H](N)C(C)C)=O
Compound: Bicycloalternarene F
SMILES: O=C1C2=C(O[C@](CC/C=C(/CC/C=C(/C(=O)O)\C)\C)(C)[C@H](C2)O)[C@H](O)CC1
Compound: F-10863D
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@@](CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@H]1C(=O)OC)[C@H]([C@@H]2OC(=O)CCCCCCCCC4=CC=CC=C4)O)C(=O)O
Compound: Photopyrone H
SMILES: O=C1OC(=CC(=C1CCCCCCCCCCC(C)C)O)CC(C)C
Compound: Octacosamicin A
SMILES: O=C(NCC(=O)O)C(O)C(O)CC(O)CC(O)CCCC/C=C/C=C/CCCC(=O)/C=C/C=C/CCCCCN(O)C(=N)N
Compound: Nocuolactylate C
SMILES: O=C(OCCC(=O)N1O[C@@H](CC(=N1)CCCCC)CCCCC)[C@@H](OC(=O)C/C=C/CCCCCCCC)C
Compound: Microviridin N1
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC(C)C)NC([C@H]([C@H](OC(C[C@H]4C(N[C@H](C(N[C@H]1CC(=O)OC[C@H](NC(=O)[C@H]5N(C(=O)[C@H](CC6=CC=C(O)C=C6)NC3=O)CCC5)C(=O)N4)=O)CC=7C8=C(C=CC=C8)NC7)=O)=O)C)NOCC(N)C(=O)O)=O
Compound: Pseudovibriamide B4
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC(C2N(C(=O)[C@@H](N)C(C)C)CCC2OC(=O)CC)CC(=O)O)CCC(=O)N)[C@H]3N(C(=O)[C@@H](NC(=O)CNC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)=C/C)CCCN=C(N)N)CCC3
Compound: Leptofuranin D
SMILES: O=C1OC(/C=C/C(=C\C(C/C=C/C(=C/C(C(=O)C(C2OC(CC=O)(C)CC2C)C)C)/C)C)/CC)C(C)C=C1
Compound: Herbarumin I
SMILES: O=C1O[C@@H]([C@@H](O)[C@@H](O)C=CCCC1)CCC
Compound: Glidobactin C
SMILES: O=C1NCC[C@H](O)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/C=C/CCCCCCCCC)[C@H](O)C)C(N[C@H](C=C1)C)=O
Compound: Pseudovibriamide A1
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)O)CCC(=O)N)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)=C/C)C)CCCN=C(N)N)CCC2
Compound: (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione
SMILES: O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]([C@@H]3[C@@H]([C@@H]4[C@H](C=CC=C1)C[C@H]5C[C@@H]([C@@H]([C@@H]45)C)CC)O3)O
Compound: Balgacyclamide C
SMILES: S1C2=NC(=C1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C3=N[C@H](C(N[C@@H]2[C@H](CC)C)=O)[C@H](O3)C)CC4=CC=CC=C4)[C@H](O)C
Compound: Pseudovibriamide A2
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)O)CCC(=O)N)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/N3C(=O)N[C@H](C3=O)CC4=CC=C(O)C=C4)=C/C)C)CCCN=C(N)N)CCC2
Compound: Ichthyopeptin A
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C(O)CC2=CC=C(O)C=C2)CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@H](C(N(C(C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)C(C)C)C3=O)O)CC5=CC=C(O)C=C5)C
Compound: Porritoxinol
SMILES: O=C1OCC2=C1C=C(OC[C@H](O)C(O)(C)C)C(=C2OC)C
Compound: Glidobactin B
SMILES: O=C1NCC[C@H](O)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/C=C/CC/C=C/CCCCC)[C@H](O)C)C(N[C@H](C=C1)C)=O
Compound: (3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione
SMILES: O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=CC=C[C@H]([C@@H]3[C@H](C=CC=C1)C[C@H]4C[C@@H]([C@@H]([C@@H]34)C)CC)O
Compound: Anabaenopeptin 882
SMILES: O=C1N(C(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC(=O)NC)CCC4=CC=CC=C4)C
Compound: Pseudovibriamide A3
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)O)CCC(=O)N)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)=C/C)CCCN=C(N)N)CCC2
Compound: Cylindrocyclophane B4
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCC(Br)Br)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: 13S,3beta,19-dihydroxylabda-8(17),11E-dien-16,15-olide
SMILES: O=C1OCC[C@H]1/C=C/[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]([C@@]3(CO)C)O)C
Compound: Glidobactin A
SMILES: O=C1NCC[C@H](O)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/C=C/CCCCCCC)[C@H](O)C)C(N[C@H](C=C1)C)=O
Compound: Pseudovibriamide A4
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)O)CCC(=O)N)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)/C(/N3C(=O)N[C@H](C3=O)CC4=CC=C(O)C=C4)=C/C)CCCN=C(N)N)CCC2
Compound: Anabaenopeptin 863a
SMILES: O=C1N(C(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CC(C)C)CC2=CC=CC=C2)CC(=O)N)C)CCC3=CC=CC=C3)CC
Compound: (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione
SMILES: O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](C=CC=C1)[C@H]4[C@H]([C@H]5[C@@H](C)[C@H](C[C@@H]45)CC)C=C3
Compound: Pseudovibriamide A5
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)O)CCC(=O)N)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)N[C@H](C(=O)OC)CC3=CC=C(O)C=C3)=C/C)C)CCCN=C(N)N)CCC2
Compound: 5,7a-Dihydroxy-13-normarasm-8-one
SMILES: O=C1[C@H](O)[C@]2([C@@](C)([C@@H]3[C@H]1CC(C)(C)C3)C2)CO
Compound: Pyxidatol A
SMILES: O[C@@]1([C@]2(O)[C@]([C@@H]3CC(C[C@@H]3[C@H]1O)(C)C)([C@@H](O)[C@H]2O)C)CO
Compound: Nodulapeptin 915b
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)CC3=CC=CC=C3)COC(=O)C)CCC4=CC=C(O)C=C4)C
Compound: Unphenelfamycin
SMILES: O=C(O)/C=C/C=C/C=C/[C@H]1O[C@H]([C@H]([C@H](OC)/C(=C/C=C/CNC(=O)[C@@H]([C@@]2(O[C@@H](/C=C/C=C/C)C(C)(C)[C@H]([C@H]2O)O)O)CO[C@H]3O[C@H]([C@@H](O)[C@H](C3)OC)C)/C)C)C[C@@H]1O
Compound: Pseudovibriamide A6
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC)CCC(=O)N)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)=C/C)C)CCCN=C(N)N)CCC2
Compound: Fabclavine Ia
SMILES: O=C1NC(C(=O)NC(C(=O)N2C(C(O)CC(O)CC(=O)NCCC(O)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)C)CCC2)C(NC(CC1NC(=O)[C@@H](NC(=O)CC(N)C(=O)O)CC3=CC=CC=C3)=O)C)CC(=O)N
Compound: Cyclipostin E
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCCCCCO
Compound: Pseudovibriamide B1
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC(C2N(C(=O)[C@@H](N)C(C)C)CCC2OC(=O)CC)CC(=O)O)CCC(=O)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)=C/C)C)CCCN=C(N)N)CCC3
Compound: Phenalinolactone A
SMILES: O=C1OC(O)C(=C1O)[C@@H]2C(=CC[C@@H]3[C@]2(CC[C@H]4[C@]3([C@@H](O)C[C@@H](OC(=O)C)C4(COC(=O)C=5NC(C)=CC5)CO[C@@H]6O[C@H]([C@H](OC)CC6)C)C)C)C
Compound: Phenelfamycin F
SMILES: O=C(O)\C=C/C=C/C=C/[C@H]1O[C@H]([C@@H]([C@@H](OC)/C(=C/C=C/CNC(=O)[C@H]([C@]2(O[C@@H](/C=C/C=C/C)C(C)(C)[C@H]([C@@H]2O)OC(=O)CC3=CC=CC=C3)O)CO[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H]([C@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)OC)C)[C@H](C5)OC)C)[C@H](C4)OC)C)/C)C)C[C@@H]1O
Compound: Nodulapeptin 823
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)CO)CCC3=CC=C(O)C=C3)C
Compound: Fabclavine Ib
SMILES: O=C1NC(C(=O)NC(C(=O)N2C(C(O)CC(=O)NCCC(O)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)C)CCC2)C(NC(CC1NC(=O)[C@@H](NC(=O)CC(N)C(=O)O)CC3=CC=CC=C3)=O)C)CC(=O)N
Compound: Pseudovibriamide B2
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC(C2N(C(=O)[C@@H](N)C(CC)C)CCC2OC(=O)CC)CC(=O)O)CCC(=O)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)=C/C)C)CCCN=C(N)N)CCC3
Compound: Icosalide A2
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)OC(CC(N[C@H](C(N[C@H]1CO)=O)CC(C)C)=O)CCCCCCC)CC(C)C)CO)CCCCC
Compound: [Ser6] Nodulapeptin B
SMILES: S(=O)(CCC1NC(=O)C(NC(=O)NC(C(=O)O)C(CC)C)CCCCNC(=O)C(NC(C(N(C(C(NC1=O)CCC2=CC=CC=C2)=O)C)CCC3=CC=C(O)C=C3)=O)CO)C
Compound: Phenelfamycin E
SMILES: O=C(O)/C=C/C=C/C=C/[C@@H]1O[C@@H]([C@H]([C@H](OC)/C(=C/C=C/CNC(=O)[C@H]([C@]2(O[C@@H](/C=C/C=C\C)C(C)(C)[C@H]([C@H]2OC(=O)CC3=CC=CC=C3)O)O)CO[C@@H]4O[C@@H]([C@H](O[C@H]5O[C@H]([C@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)OC)C)[C@@H](C5)OC)C)[C@@H](C4)OC)C)/C)C)C[C@@H]1O
Compound: Fabclavine IIa
SMILES: O=C1N[C@H](C(=O)NC(C(=O)N2[C@H]([C@H](O)CC(O)CC(=O)NCC[C@H](O)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)C)CCC2)C(NC(C[C@H]1NC(=O)[C@@H](NC(=O)C[C@H](N)C(=O)O)CC=3NC=NC3)=O)C)CC(=O)N
Compound: Pseudovibriamide B3
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC(C2N(C(=O)[C@@H](N)CC(C)C)CCC2OC(=O)CC)CC(=O)O)CCC(=O)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(/NC(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)=C/C)C)CCCN=C(N)N)CCC3
Compound: Variecolorin A
SMILES: ClC([C@H](O)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1)(C)C
Compound: Cerinolactone
SMILES: O=C1O[C@H](C=2C(=C)C[C@@H]3C[C@H](C(C)C)CC[C@H]3C2)C[C@H]1O
Compound: Anabaenopeptin SA1
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@H]1CCCC2=CC=CC=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC3=CC=CC=C3)CC(=O)N)C
Compound: Phenelfamycin C
SMILES: O=C(O)/C=C\C=C\C=C\[C@@H]1O[C@H]([C@@H]([C@H](OC)/C(=C/C=C\CNC(=O)[C@@H]([C@]2(O[C@@H](/C=C/C=C\C)C(C)(C)[C@H]([C@@H]2OC(=O)CC3=CC=CC=C3)O)O)CO[C@@H]4O[C@@H]([C@H](O[C@H]5O[C@H]([C@@H](O)[C@H](C5)OC)C)[C@@H](C4)OC)C)/C)C)C[C@H]1O
Compound: Pseudovibriamide B5
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC(C2N(C(=O)[C@@H](N)C(CC)C)CCC2OC(=O)CC)CC(=O)O)CCC(=O)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)/C(/N4C(=O)N[C@H](C4=O)CC5=CC=C(O)C=C5)=C/C)C)CCCN=C(N)N)CCC3
Compound: Fabclavine IIb
SMILES: O=C1N[C@H](C(=O)NC(C(=O)N2[C@H]([C@H](O)CC(=O)NCC[C@H](O)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)C)CCC2)C(NC(C[C@H]1NC(=O)[C@@H](NC(=O)C[C@H](N)C(=O)O)CC=3NC=NC3)=O)C)CC(=O)N
Compound: Tirandamycin B
SMILES: O=C1[C@H]2O[C@@](O[C@@H]([C@H]2C)[C@@H](/C=C(/C=C/C(/O)=C/3\C(=O)NCC3=O)\C)C)(C)[C@@]4([C@H]1O4)CO
Compound: Pseudovibriamide B6
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)OC(C2N(C(=O)[C@@H](N)CC(C)C)CCC2OC(=O)CC)CC(=O)O)CCC(=O)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)/C(/N4C(=O)N[C@H](C4=O)CC5=CC=C(O)C=C5)=C/C)C)CCCN=C(N)N)CCC3
Compound: Antrocinnamomin H
SMILES: O=C1NC(=O)C(=C1C2=CC=C(OC(C(O)C(=O)OC)C)C=C2)CC(C)C
Compound: Anabaenopeptin SA10
SMILES: ClC1=C(O)C=CC(=C1)CC[C@@H]2NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC([C@@H](CCCCNC2=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)=O)CCC4=CC=C(O)C=C4)C
Compound: Phenelfamycin B
SMILES: O=C(O)\C=C/C=C/C=C\[C@@H]1O[C@H]([C@H]([C@@H](OC)/C(=C/C=C\CNC(=O)[C@H]([C@@]2(O[C@@H](\C=C/C=C/C)C(C)(C)[C@@H]([C@@H]2O)OC(=O)CC3=CC=CC=C3)O)CO[C@@H]4O[C@@H]([C@H](O)[C@@H](C4)OC)C)/C)C)C[C@H]1O
Compound: Xenotetrapeptide
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H]1C(C)C)=O)C(C)C)CC(C)C)C(C)C
Compound: Nocathioamide A
SMILES: S=C(NC1C(=O)N[C@@H]2C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(N4[C@@H](C(NC(CSC1C)C(=O)NC(C(=O)NC(C(=O)NC(CC(NC(C(C2)C)=O)=O)C(=O)O)C)CSC3)=O)CCC4)=O)CC(C)C)=C)C(NC(=O)C=5N=C(C(NC(=O)C)C)SC5)CC=6NC=NC6
Compound: Fomitellanol B
SMILES: O=C1C=C(COC(=O)C)C=2[C@H]1[C@@]3(C=4C(=CC=C(C4C2)O)O[C@@H]3OC(C)C)C
Compound: Clavatustide A
SMILES: O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)CC)CC4=CC=CC=C4
Compound: Anabaenopeptin SA11
SMILES: ClC1=C(O)C=CC(=C1)CC[C@@H]2NC(=O)CN(C(=O)[C@@H](NC(=O)C([C@@H](CC)C)NC([C@@H](CCCCNC2=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)=O)CCC4=CC=C(O)C=C4)C
Compound: Cis-7-tetradecenoyl-D-asparagine
SMILES: O=C(O)[C@H](NC(=O)CCCCCC=CCCCCCC)CC(=O)N
Compound: Phenelfamycin A
SMILES: O=C(O)/C=C/C=C\C=C/[C@@H]1O[C@H]([C@H]([C@H](OC)/C(=C/C=C/CNC(=O)[C@H]([C@@]2(O[C@H](/C=C/C=C\C)C(C)(C)[C@@H]([C@H]2OC(=O)CC3=CC=CC=C3)O)O)CO[C@H]4O[C@@H]([C@H](O)[C@@H](C4)OC)C)/C)C)C[C@H]1O
Compound: Nocathioamide B
SMILES: S1(=O)CC2NC(=O)C3NC(=O)[C@@H]4N(CCC4)C([C@H](NC(C(NC(C(C1)NC(=O)[C@@H](NC(=O)C(NC(=S)C(NC(=O)C=5N=C(C(NC(=O)C)C)SC5)CC=6NC=NC6)C(SC3)C)CC(C(=O)NC(CC(NC(C(NC2=O)C)=O)C(=O)O)=O)C)=O)=C)=O)CC(C)C)=O
Compound: Aspersidone
SMILES: ClC1=C(OC)C(=C2OC(=O)C3=C(OC2=C1C(=CC)C)C=C(O)C(=C3C)Cl)C
Compound: Austalide P
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(CC[C@H]([C@@]([C@H]4C3)(CCC(=O)OC)C)C(O)(C)C)C)C2C
Compound: Anabaenopeptin SA12
SMILES: O=C1N(CC(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CCC4=CC=C(O)C=C4)C
Compound: Nocathioamide C
SMILES: S1(=O)C(C(NC(=S)C(NC(=O)C=2N=C(C(NC(=O)C)C)SC2)CC=3NC=NC3)C(=O)N[C@@H]4C(=O)NC5C(=O)NC(=C)C(N[C@@H](C(N6[C@@H](C(NC(C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(NC(C(C4)C)=O)=O)C)CS(=O)C5)=O)CCC6)=O)CC(C)C)=O)C
Compound: (R)-N1-((S)-5-oxohexan-2-yl)-2-tetradecanamidosuccinamide
SMILES: O=C(N[C@H](CCC(=O)C)C)[C@H](NC(=O)CCCCCCCCCCCCC)CC(=O)N
Compound: LL-N313ζ
SMILES: O=C1[C@@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)C)C)C
Compound: Asperlicin D
SMILES: O=C1NC2=C(C=CC=C2)C=3N([C@H]1CC=4C5=C(C=CC=C5)NC4)C(=O)C6=C(C=CC=C6)N3
Compound: Calidoustene A
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/C=C/CO)C
Compound: Lajollamycin C
SMILES: O=[N+]([O-])/C(=C(/C=C/C=C/C=C(/[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)\C)\C)/C
Compound: Anabaenopeptin SA13
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)CO)C
Compound: Citrinadin D
SMILES: O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](N)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C
Compound: Calidoustene B
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/C=C/C=C/C=O)C
Compound: Cyclothiazomycin C
SMILES: S1[C@@]2(NC(=O)/C(/NC(=O)[C@H]3N=C([C@@H](NC(=O)C4=C(N=C(C=5SC=C(N5)C6=N[C@H](C(NC(C7=NC(C8=NC(C9=N[C@@H](C(N[C@@H](C1)C(=O)O)=O)CS9)=CS8)=CS7)=C)=O)CS6)C=C4)[C@@H](C)NC([C@H]%10N(C(C(NC(CNC([C@@H](NC2=O)CCCCN)=O)=O)=C)=O)CCC%10)=O)CC(=O)N)SC3)=C/C)C
Compound: Asperlicin B
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=CC=C4)=O)C[C@]5(O)C6=C(C=CC=C6)N7[C@@H]5N(O)[C@@H](CC(C)C)C7=O
Compound: 23-(6-methyl)heptanoic acid demalonylazalomycin F3a ester
SMILES: O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCN=C(N)N)C
Compound: Anabaenopeptin SA2
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC3=CC=CC=C3)CO)C
Compound: Calidoustene C
SMILES: O=C1O[C@@H](O)[C@]2(C1=C[C@@H](OC(=O)/C=C/C=C/C=C/C)[C@H]3C(CCC[C@]23C)(C)C)O
Compound: Terreolide B
SMILES: O=C1C(O[C@@]2(C)C[C@@H]1O[C@@]32OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)CC=C5C(=O)OCC5)(C)C)CC3)(C)C
Compound: Phosphocalyculin A
SMILES: P(=O)(OP(=O)(O)O)(O[C@@H]1C(C2(O[C@H]([C@@H](C)[C@@H](C2)O)C/C=C/C=3N=C([C@H](CCNC(=O)[C@@H](O)[C@@H](O)[C@@H](N(C)C)COC)C)OC3)O[C@@H]1[C@@H](OC)C[C@H](O)[C@@H]([C@H](O)[C@@H](/C=C(/C(=C/C=C/C(=C\[N+]#[C-])/C)/C)\C)C)C)(C)C)O
Compound: Neoenactin NL2
SMILES: O=C(N(O)CCC(=O)CCCCCCC(O)CCCCCCC)[C@@H](N)CO
Compound: Calidoustene D
SMILES: O=C(O[C@@H]1C=C2[C@](O)(CO[C@H]2O)[C@@]3([C@@H]1C(CCC3)(C)C)C)/C=C/C=C/C=C/C
Compound: Anabaenopeptin SA3
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)CCCCN)CC3=CC=CC=C3)C)C
Compound: 6-((2S,4R)-2,4-dihydroxyundec-1-yl)-4-hydroxy-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](O)C[C@H](O)CCCCCCC
Compound: Paecilomycone B
SMILES: O=C1C(=O)C=2C=3C(C(OC)=CC2O)=C(C)C=C(C3C1=O)O
Compound: Pacidamycin 1
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N)C)CC5=CC(O)=CC=C5)C)C)/C[C@H]2O
Compound: Neoenactin NL1
SMILES: O=C(N(O)CCC(=O)CCCCCCC(O)CCCCC)[C@@H](N)CO
Compound: Calidoustene E
SMILES: O=C1OC[C@]2(C1=C[C@@H](OC(=O)/C=C/C=C/C=C/C)[C@H]3C(CCC[C@]23C)(C)C)O
Compound: Anabaenopeptin SA4
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCCC2=CC=CC=C2)=O)C(CC)C)=O)NC(=O)N[C@H](C(=O)O)CCCCN)CC3=CC=CC=C3)CC(=O)N)C
Compound: Corynesidone C
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(O)C(=C3)O)C
Compound: A-O-Methyldihydrobotrydialone
SMILES: O=C1O[C@@H](OC)[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: Calidoustene F
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/C=C/CCC)C
Compound: Boholmycin
SMILES: O=C(OC1C(OC2OC(C(O)C(C2O)N)CO)C(O)C(OC3OCC(OC4OC(C(O)C(C4O)O)C(O)CO)C(C3NC)O)C(C1O)OC(=O)N)N
Compound: Pacidamycin 2
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N)C)CC4=CC(O)=CC=C4)C)C)/C[C@H]2O
Compound: Anabaenopeptin SA5
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCCC2=CC=CC=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)CC(=O)N)C
Compound: Aspochalasin M
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC([C@H](CC1)O)=O)C)C)CC(C)C
Compound: Viguiepinone
SMILES: O=C1C([C@@H]2[C@@](C3=CC[C@@](C=C)(C)C[C@@H]3CC2)(C)CC1)(C)C
Compound: MCA17-1
SMILES: O=C\1N[C@@H](CC(=O)O)C(/C1=C(\O)/C=C/C=C/C=C/C)=O
Compound: OM-4842
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@@]3(O[C@@H]5O[C@H]([C@@H](O)CC5)C)C(=O)C[C@@](O)(C)C4)O)[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@@H](O)CC7)C)C
Compound: Pacidamycin 3
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC3=CC(O)=CC=C3)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N)C)CC4=CC(O)=CC=C4)C)C)/C[C@H]2O
Compound: Anabaenopeptin SA6
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=CC=C2)=O)[C@@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)CC(=O)N)C
Compound: Longicatenamide A
SMILES: O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H]1[C@H](O)CC(=O)O)=O)CCCN)=O)C(C)C)CCCC(C)C)CC=2C3=C(C=CC=C3)NC2
Compound: Actinoplanone G
SMILES: O=C1N(/N=C(\C(=O)C)/C)C(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@@H](OC)[C@@H](O)C[C@@H]6OC)OC5C7=C4[C@@H](OCO7)CC3C2)C
Compound: (5R) 5-hydroxy-3-[[2-(4-hydroxyphenyl)ethyl]amino]-5-vinyl-2-cyclopenten-1-one
SMILES: O=C1C=C(NCCC2=CC=C(O)C=C2)C[C@@]1(O)C=C
Compound: Pacidamycin 4
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C)[C@@H](N(C(=O)[C@@H](N)CC5=CC(O)=CC=C5)C)C)/C[C@H]2O
Compound: aconitate(3-)
SMILES: [O-]C(=O)CC(=CC([O-])=O)C([O-])=O
Compound: Puwainaphycin C
SMILES: ClC(CCCCCCCCCC(C1NC(=O)C2N(C(=O)C(N(C(=O)C(NC(=O)CNC(=O)C(CCC(=O)N)NC(C(NC(C(NC(\C(\NC(C(NC(C1O)=O)C(C)C)=O)=C/C)=O)C(O)C)=O)C(O)C)=O)C(OC)C)C)CC(=O)N)CCC2)C)CC
Compound: Longicatenamide B
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(N[C@H](C(N[C@@H]1C(C)C)=O)CCCC(C)C)=O)CC=2C3=C(C=CC=C3)NC2)CCC(=O)O)CCCN
Compound: Anabaenopeptin SA7
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@H]1CCCC2=CC=CC=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)CC(=O)N)C
Compound: Actinoplanone F
SMILES: ClC=1C2=C(C(=O)N(C1C)/N=C(/C(=O)C)\C)C(O)=C3C4=C(O)C=5C(=O)C6=C([C@H](OC)[C@@H](O)C[C@H]6OC)OC5C7=C4[C@@H](CC3=C2)OCO7
Compound: 15alpha-Hydroxy-14-aldehyde probotryan-4
SMILES: O=C[C@]12[C@@H]3C(=CC[C@H]([C@@H]3CC1O)C)C(C2)(C)C
Compound: Longicatenamide C
SMILES: O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)CC(=O)O)=O)CCCN)=O)C(C)C)CCCC(C)C)CC=2C3=C(C=CC=C3)NC2