MonarchInit/C3PO huggingface dataset:
Compound: [D-Asp3,ADMAdda5,Dha7]MC-HilR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C[C@H](CC)C)C
Compound: Naphthomycin F
SMILES: S(C1=C2NC(=O)C(=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=3C(C1=O)=C(C2=O)C=C(C)C3O)=O)C)C)O)C)O)C)C)C[C@H](NC(=O)C)C(=O)OC
Compound: Aclidinomycin B
SMILES: O=C1C(OC)=C(C(=O)C2(C1=C3N4C5[C@@H]6N(C)[C@H](C4OC3O)C[C@@H]6C7N(C25)CCO7)O)C
Compound: 4-epi-Ethiosolide
SMILES: O=C1O[C@H]2C(=O)O[C@@H]([C@H]2C1=C)CC
Compound: Thermolide J
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@H]1C(C)C)=O)O)C)C)[C@H](C[C@@H]([C@H](OC(=O)CCC)[C@@H]([C@H](O)C[C@@H](O)C)C)C)C
Compound: 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide
SMILES: O=C(NC(C(=N)N)C(C)C)C(N)CCCN
Compound: [D-Asp3,Dha7]MC-HphR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC3=CC=CC=C3)C
Compound: Trichorzin HA-5
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(CC)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)(C)C)(CC)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Aclidinomycin A
SMILES: O=C1C(OC)=C(C(=O)[C@@]2(C1=C3N4[C@@H]5[C@@H]6N(C)[C@@H]([C@H]4OC3)C[C@@H]6[C@H]7N([C@H]25)CCO7)O)C
Compound: Thermolide K
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@H]1C(C)C)=O)O)C)C)[C@H](C[C@@H]([C@H](O)[C@@H]([C@H](OC(=O)CCC)C[C@@H](O)C)C)C)C
Compound: Similanpyrone C
SMILES: O=C1OC(=CC=2C1=C(O)C3=C(O[C@]4(O[C@@H](CC(C4)=O)C)[C@H](C3)C)C2)C
Compound: Leptoterpene A
SMILES: O=C1C(=C2[C@@H](CC[C@](C2)(O)CO)[C@H](C1)C)C(C)C
Compound: MC-LV
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](C(C)C)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)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: Isopterocarpolone
SMILES: O=C1C=C([C@@H]2C[C@H](C(O)(C)C)CC[C@]2(C1)C)C
Compound: Thermolide L
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@H]1CC2=CC=CC=C2)=O)O)C)C)[C@H](C[C@@H]([C@H](OC(=O)C)[C@@H]([C@H](O)C[C@@H](O)C)C)C)C
Compound: Cyclo(D-Pro-L-Val)
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1C(C)C)CCC2
Compound: Wbeta2220
SMILES: S(=O)(=O)(O)C[C@H](C(=O)C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC([C@@H](NC1=O)CC2=CC=CC=C2)=O)[C@H](CC)C
Compound: Thermolide M
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@H]1CC2=CC=CC=C2)=O)O)C)C)[C@H](C[C@@H]([C@H](O)[C@@H]([C@H](OC(=O)C)C[C@@H](O)C)C)C)C
Compound: Lecanorin F
SMILES: O=C(OC1=C(C(O)=CC(=C1)C)C)C2=C(O)C=C(O)C=C2C
Compound: [ADMAdda5]MC-HilR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)C[C@H](CC)C)C
Compound: Leptoterpene B
SMILES: O=C1C(=C2[C@@H](CC[C@@H](C2)CO)[C@H](C1)C)C(C)C
Compound: Sungeidine A
SMILES: S1C(=O)C2=CC=C3C=4C2=C1C=5C(C4C6=C7C(=CC=C6)[C@@H]8C(=O)C=C([C@@H]9[C@H]7N3C[C@@H]98)C)=CC=C(C5)O
Compound: Argimicin A
SMILES: O=C(O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([N+](C)(C)C)CCCN=C(N)N)C(C)C)C(C)C)C[C@@H](O)CNC(=NC)N)C)CCC(=O)N
Compound: 2-(3-acyloxy-7,13-dihydroxyoctadecanoyl)aminoethanesulfonicacid
SMILES: S(=O)(=O)(O)CCNC(=O)C[C@H](OC(=O)CCCC)CCC[C@H](O)CCCCC[C@@H](O)CCCCC
Compound: [D-Asp3,Ser7]MC-HtyR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N[C@H]1CO)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC3=CC=C(O)C=C3)C
Compound: Panutorulon A
SMILES: O=C1C(=C[C@H]2[C@H](C(CO)C)CC[C@]([C@H]2C1)(O)C)C
Compound: Sungeidine B
SMILES: S1C(=O)C2=CC=C(C=3C2=C1C=4C(C3)=CC=C(C4)O)N5[C@H]6C7=C(C=CC=C7)[C@H]8[C@@H](C5)[C@@H]6C(=CC8=O)C
Compound: Taveuniamide C
SMILES: ClC(Cl)=CC#CCCC(C(=O)OC)C(NC(=O)C)CCC/C=C/CC(Cl)Cl
Compound: UCS1025B
SMILES: O=C1N2[C@@]3(O)[C@H](C(=O)O[C@H]3[C@@]1(O)C(=O)[C@@H]4[C@@H]5[C@@H](C=C[C@@H]4C)CCCC5)CC2
Compound: 57-Normajusculamide C
SMILES: O=C1N[C@H](C(=O)N[C@@H]([C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@@H](C(CC)C)C(NCC(N([C@H](C(N([C@H](C(N[C@H](C(C1(C)C)=O)C)=O)CC2=CC=C(OC)C=C2)C)=O)C(C)C)C)=O)=O)C)C(C)C)C)CC)C
Compound: Sungeidine C
SMILES: S1C(=O)C=2C=CC(=C3C2C1=C4C(=C3)C=C[C@H]([C@@H]4O)O)NC[C@@H]5[C@H]6C(=O)C=C([C@@H]5C(=O)C7=C6C=CC=C7)C
Compound: Colletotricone A
SMILES: O=C1C=C[C@H](/C=C/CCC)[C@@H]([C@H]1O)C(=O)C(O)C
Compound: [ADMAdda5]MC-HilHar
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](CCCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)C[C@H](CC)C)C
Compound: O-Ethylfusarubin
SMILES: O=C1C2=C(O)C3=C(CO[C@@](C3)(OCC)C)C(=C2C(=O)C=C1OC)O
Compound: UCS1025A
SMILES: O=C1O[C@H]2[C@@H](C(=O)N3[C@]2([C@H]1CC3)O)C(=O)[C@@H]4[C@@H]5[C@@H](C=C[C@@H]4C)CCCC5
Compound: Sungeidine D
SMILES: S1C(=O)C=2C=CC(=C3C2C1=C4C(=C3)C=C[C@H]([C@@H]4O)O)NC[C@@H]5[C@@]6(O)C(=O)C=C([C@@H]5C(=O)C7=C6C=CC=C7)C
Compound: (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
SMILES: O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(O[C@@H](C[C@@H]4O[C@H]([C@@H]1C)CC4)C)=O)C)CC3)C)C)CC2)C
Compound: Colletotricone B
SMILES: O=C1C=C[C@H](/C=C/CCC)[C@H]([C@H]1O)C(=O)C(O)C
Compound: [ADMAdda5]MC-YR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)CC3=CC=C(O)C=C3)C
Compound: (3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-ol
SMILES: O1[C@H](CC2=CC3=CC(OC)=CC(=C3C(=C2C1)O)OC)C
Compound: Sungeidine E
SMILES: S1C(=O)C=2C=CC(=C3C2C1=C4C(=C3)C=C[C@H]([C@@H]4O)O)N5[C@H]6C7=C(C=CC=C7)[C@H]8[C@@H](C5)[C@@H]6C(=CC8=O)C
Compound: AC326-alpha
SMILES: P(=O)(O[C@H]1O[C@H](C(=O)N)[C@](O)(C)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](C(=O)NC5=C(O)CCC5=O)[C@H](O)[C@@H]([C@H]4O)O)[C@@H]([C@H]3NC(=O)C)O)CO)[C@@H]([C@H]2NC(=O)C)O)CO[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)OC(=O)N)(OC[C@@H](OC/C=C(\CC/C=C/C(CCC(=C)CC7C(=C)CCCC7(C)C)(C)C)/C)C(=O)O)O
Compound: Sungeidine F
SMILES: S1C(=O)C=2C=CC3=C4C2C1=C5C(=C4C6=C7C(=CC=C6)[C@@H]8C(=O)C=C([C@@H]9[C@H]7N3C[C@@H]98)C)C=C[C@H]([C@@H]5O)O
Compound: Stachyboside A
SMILES: O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)C2)CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO
Compound: [Dha7]MC-HilR
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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)C[C@H](CC)C)C
Compound: Colletotricole A
SMILES: S1C(=C(C)N=C1)CCOC(=O)[C@@H](O)C
Compound: Dysidphenol C
SMILES: O=C(OC)C1=CC(=C(O)C=C1)C[C@H]2[C@](O)(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C
Compound: Sungeidine G
SMILES: S1C(=O)C=2C=CC3=C4C2C1=C5C(=C4C6=C7C(=C(O)C=C6)[C@@H]8C(=O)C=C([C@@H]9[C@H]7N3C[C@@H]98)C)C=C[C@H]([C@@H]5O)O
Compound: Ferroverdin C
SMILES: [Fe+2].O=NC1=C(O)C=CC(=C1)C(=O)OC2=CC=C(/C=C\C(=O)O)C=C2.O=NC1=C(O)C=CC(=C1)C(=O)OC2=CC=C(C=C)C=C2.O=NC1=C(O)C=CC(=C1)C(=O)OC2=CC=C(C=C)C=C2
Compound: Scrobicalol
SMILES: O=CC1=CC2=C(CC(C2)(C)C)[C@@H](C[C@H]1CO)C
Compound: Sungeidine H
SMILES: S1C(=O)C=2C=CC3=C4C2C1=C5C(=C4C6=C7C(=CC=C6)[C@]8(O)C(=O)C=C([C@@H]9[C@H]7N3C[C@@H]98)C)C=C[C@H]([C@@H]5O)O
Compound: Stachartone A
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@@H]([C@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9(C(C([C@H](O)CC9)(C)C)CC[C@H]8C)C)C7)CO)O
Compound: Lysergene
SMILES: N1([C@H]2C(C3=C4C(=CC=C3)NC=C4C2)=CC(C1)=C)C
Compound: [Dha7]MC-(H4)YR
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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)C[C@H]3C=C[C@H](O)CC3)C
Compound: Ferroverdin B
SMILES: [Fe+2].O=NC1=C(O)C=CC(=C1)C(=O)OC2=CC=C(C=CO)C=C2.O=NC1=C(O)C=CC(=C1)C(=O)OC2=CC=C(C=C)C=C2.O=NC1=C(O)C=CC(=C1)C(=O)OC2=CC=C(C=C)C=C2
Compound: 6-methoxy-alpha-pyrufuran
SMILES: COc1cccc2c1oc1c(OC)c(OC)c(O)c(OC)c21
Compound: Phomopsidin MK8383
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H](C(=C[C@@H]2[C@H]1[C@H](CC[C@@H]2O)C)C)/C(=C\C)/C
Compound: D-Capreomycidin
SMILES: O=C(O)[C@H](N)[C@H]1NC(=NCC1)N
Compound: Aflastatin B
SMILES: O=C/1NC(C)C(\C1=C(/O)\C(=C\C(CC(CC(O)C(O)C(C(O)C(C(O)C(C(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)C(O)C(O)C(O)C(O)C[C@H]2O[C@](O)([C@@H](O)[C@H]([C@@H]2O)O)CC(O)CCCCCCCCC)C)C)C)C)C)C)C)\C)=O
Compound: Igniarine
SMILES: O=C(C=1OC=C(C1)C)C([C@H]2[C@]3([C@](C4=C([C@@]5(C(C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C
Compound: Microviridin K
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)C)CC2=CC=C(O)C=C2)CC(=O)N)[C@@H](OC(=O)C[C@@H]3NC(=O)[C@@H]4COC(=O)CC[C@H](NC([C@@H](NC3=O)CC=5C6=C(C=CC=C6)NC5)=O)C(N[C@@H](CCC(NCCCC[C@@H](NC1=O)C(=O)N[C@@H](C(=O)N7[C@H](C(=O)N4)CCC7)CC8=CC=C(O)C=C8)=O)C(=O)N[C@@H](C(=O)O)CC9=CC=C(O)C=C9)=O)C)C
Compound: RP-1551-M2
SMILES: ClC=1C(=O)[C@@](O)([C@H](O)[C@@H]2C1C=C(OC2)/C=C/C(=C/C(CC)C)/C)C
Compound: Communesin C
SMILES: O=C(N1[C@@H]2N3[C@@H](C=4C=CC=C5C4[C@@]6([C@]2(C7=C(N[C@@H]6N5C=O)C=CC=C7)CC1)CC3)[C@H]8OC8(C)C)/C=C/C=C/C
Compound: Faulknamycin
SMILES: O=C(O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)[C@H](O)C)[C@@H](O)C1=CC=CC=C1)CC(C)C)C(C)C)[C@H]2NC(=NCC2)N)[C@H](O)C
Compound: RP-1551-M1
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H]3[C@H]4C(=O)O[C@H](C[C@@]4(O[C@@]3(C1=O)C)OC)C
Compound: Melithiazol D
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C2N=C(C(C)C)SC2
Compound: (S)-N-dodecanoyl-HSL
SMILES: O=C1OCC[C@@H]1NC(=O)CCCCCCCCCCC
Compound: Xylaral B
SMILES: O=C1O[C@H](OC)C=2C1=C(O)C(=C(O)C2C=O)CCC(=O)/C=C/CCCCCCCCC
Compound: Ionostatin
SMILES: O=C(O)[C@H](C[C@H](C[C@H](C[C@@H](C(=O)C=C(O)[C@@H](C[C@@H](C/C=C/[C@H]([C@@H](O)[C@H]([C@@H](O)C[C@H]1O[C@@]([C@H]2O[C@@H]([C@H](O)C)CC2)(C)CC1)C)C)C)C)C)C)C)C
Compound: [D-Asp3,DMAdda5]MC-LR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](O)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: RP-1551-6
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)C3C4C(=O)OC(CC4(OC3(C1=O)C)O)C
Compound: [DMAdda5]MC-FR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](O)CC2=CC=CC=C2)C)/C)=O)C)CC3=CC=CC=C3)C
Compound: 1(10),4-germacradiene-2,6,12-triol
SMILES: O[C@H]1C=C(C[C@H](O)C=C(CC[C@H]1[C@H](CO)C)C)C
Compound: Pristinin A3
SMILES: S1C=CNC(=O)CNC(=O)C(NC(C(NC(C(NC(C(C1C)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)C2NC(=O)C(NC(=O)/C(/NC(=O)C(NC(C(CSC2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C4C(C(=O)\C(\NC(C(C(SC3)C)N(C)C)=O)=C\C)CCC4)C(C)C)C)C)C)C(C)C)C)=O)=C)=C/C)CC=5C6=C(C=CC=C6)NC5)C)C)C)C)C)C)C(CC)C)C)C)=O)CC7=CC=C(O)C=C7)=O)CCC(=O)O)=O)C
Compound: Kulokainalide-1
SMILES: O=C1N[C@H](C(=O)N(C(C(=O)O[C@H](C(=O)N2C(C(=O)N3C(C(NC(C(NC(C(O[C@H](C1(C)C)CCCC#C)=O)CC4=CC=CC=C4)=O)C(C)C)=O)CCC3)CCC2)C)C(C)C)C)C(C)C
Compound: Xylactam C
SMILES: O=C1NCC=2C1=C(C(O)=C(CCC(=O)/C=C/C=C/CCCCCCC)C2O)C(=O)O
Compound: RP-1551-5
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H]3CC(O[C@@]3(C1=O)C)(OC)CC(O)C
Compound: Putisolvin IV
SMILES: O=C1OCC(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)CCCCC)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)N)CO)C(C)C)CC(C)C)C(=O)NC(CC(C)C)C(NC(C(NC1CO)=O)C(CC)C)=O
Compound: Rancinamycin Ib
SMILES: O=C(OC1C(=CC(O)C(C1O)O)C=O)CCC
Compound: [DMAdda5]MC-(H4)YR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](O)CC2=CC=CC=C2)C)/C)=O)C)C[C@H]3C=C[C@H](O)CC3)C
Compound: 2-[2-[2-[[2-[[2-[[2-[[2-[2-[[5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-2-[2-[[2-methyl-2-[2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-2-methylpropanoic acid
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(C(=O)CCCCCCCCCCC)C)CCC1)(C)C)(C)C)(C)C)C)(C)C)C)C(C)C)(C)C)CCCN=C(N)N)C)(C)C)(C)C)(C)C)C)C)(C)C
Compound: Xylactam D
SMILES: O=C1N(CC=2C1=C(C(O)=C(CCC(=O)/C=C/C=C/CCCCCCC)C2O)C(=O)O)CCC(C)C
Compound: RP-1551-4
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H]3[C@@H](C(=O)CC(O)C)C(O[C@@]3(C1=O)C)=O
Compound: Putisolvin III
SMILES: O=C1OCC(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)CCCCC)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)N)CO)C(C)C)CC(C)C)C(=O)NC(CC(C)C)C(NC(C(NC1CO)=O)C(C)C)=O
Compound: TMC-151E
SMILES: O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](OC1OC(C(O)C(C1O)O)COC(=O)C)[C@H](C[C@H](C[C@H](CC)C)C)C)C)/C)C)/C)C)/C
Compound: [ADMAdda5]MC-FR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)CC3=CC=CC=C3)C
Compound: SCH-212394
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C2NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(N)C4=CC(Cl)=C(O)C(=C4)Cl)CC=5C6=C(C(C7=CC3=CC(OC=8C=C(CC(N(C2=O)C)C(=O)NC(C9=CC=C(O)C=C9)C(=O)O)C=CC8)=C7O)=C(Cl)C=C6)NC5)C%10=CC(Cl)=C(O)C(=C%10)Cl
Compound: Terretonin M
SMILES: O=C1O[C@H](C(=O)[C@]2([C@H]1[C@@]3([C@H]([C@]4([C@@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)[C@@H](C2=C)O)C)C)C
Compound: Putisolvin V
SMILES: O=C1OCC(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)CCCCC)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)N)CO)C(C)C)CC(C)C)C(=O)NC(CC(C)C)C(NC(C(NC1CO)=O)CC(C)C)=O
Compound: Polyozellin
SMILES: O=C(OC1=C2OC=3C=C(O)C(=CC3C2=C(OC(=O)C)C4=C1C5=C(C=C(O)C(=C5)O)O4)O)C
Compound: RP-1551-3
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H]3[C@@H](C(=O)/C=C/C)C(O[C@@]3(C1=O)C)=O
Compound: [D-Asp3,ADMAdda5]MC-(H4)YR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C[C@H]3C=C[C@H](O)CC3)C
Compound: Dragonamide
SMILES: ClC(Cl)(Cl)C(C/C=C/C=C(/C(=O)N[C@H](C=1SC=CN1)C(C)C)\C)C
Compound: Ustethylin B
SMILES: O=CC1=C(O)C(=C(OC)C=C1CC)CO
Compound: MM 47761
SMILES: ClC1=C2OC3=C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5O)O)C)O)CO)C=6OC7=CC=C([C@@H](OC8OC(C(O)C(C8)(N)C)C)[C@H]9C(=O)N[C@H](C(=O)O)C=%10C(C=%11C=C([C@@H](NC([C@@H](C(=C3)C6)NC(=O)[C@@H](NC([C@@H]([C@@H](C(=C1)C=C2)O)NC(=O)C(NC)CC(C)C)=O)CC(=O)N)=O)C(=O)N9)C=CC%11O)=C(O)C=C(O)C%10)C=C7
Compound: 8-methoxynaphthalene-1,7-diol
SMILES: O(C=1C2=C(O)C=CC=C2C=CC1O)C
Compound: [ADMAdda5]MC-(H4)YR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)C[C@H]3C=C[C@H](O)CC3)C
Compound: RP-1551-2
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@H](CC(=O)CC(O)C)[C@@](C1=O)(O)C
Compound: Fomitoside A
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O[C@H]5[C@@H](OC[C@H]([C@@H]5O)O)O)C/C=C/C(O)(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Ustethylin C
SMILES: O=CC1=C(O)C(=C(O)C=C1CC)CO
Compound: MM 49721
SMILES: O=C1N[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C=3C(C=4C=C2C=CC4O)=C(O)C=C(O)C3)[C@H](OC5OC(C(O)C(C5)(N)C)C)C6=CC=C(OC7=CC=8[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC)CC(C)C)[C@H](O)C9=CC=C(OC(C8)=C7OC%10OC(C(O)C(C%10OC%11OC(C(O)C(C%11O)O)C)O)CO)C=C9)CC(=O)N)C=C6
Compound: Ustilipid E3
SMILES: O=C(O[C@@H]1[C@@H](O[C@H](COC(=O)C)[C@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)OC(=O)C)OC[C@@H](O)[C@@H](O)CO)C(C)C
Compound: [ADMAdda5]MC-(H4)YHar
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](CCCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)C[C@H]3C=C[C@H](O)CC3)C
Compound: RP-1551-1
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]3[C@H]4C(=O)O[C@H](C[C@@]4(O[C@@]3(C1=O)C)O)C
Compound: Nobilamide C
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC1=CC=CC=C1)CC(C)C)CC2=CC=CC=C2)[C@H](O)C)C(C)C)C
Compound: Ustethylinic acid
SMILES: O=C(O)C1=C(O)C(=C(O)C=C1CC)C
Compound: (3Z,5E,7E,9E,11E,13Z,15E,17E)-18-methyl-19-oxoicosa-3,5,7,9,11,13,15,17-octaenoic acid
SMILES: O=C(O)C/C=C\C=C\C=C\C=C\C=C\C=C/C=C/C=C(/C(=O)C)\C
Compound: (1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C(C)C)/C)[C@@H](C)[C@H](C3)O)O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](OC)[C@H]4O)C)O)CO)C)C
Compound: Spumigin D
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)CCC1
Compound: Boydine C
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=CC4)[C@@H]5[C@@H](OC(=O)[C@@H]([C@@H](O)[C@@H](C(=O)C(=CC)C)C)C)C=COC=C5C2)C
Compound: Adxanthromycin
SMILES: O=C1C2=C(O)C(=CC=C2[C@](OO[C@]3(C4=C(C(=O)C5=C3C=CC(=C5O)C)C(=C(C(=O)O)C(=C4)O)C)C)(C)C6=C1C(=C(C(=O)O)C(=C6)O[C@H]7O[C@H]([C@H](O)[C@@H]([C@@H]7O)O)CO)C)C
Compound: Pestaloficiol U
SMILES: ClC1=C(O)C(=C(C(=O)OC)C=C1OC)C(=O)C2=C(O)C(C=3C4=C(OC(C3)(C)C)C(=CC(=C4)O)CC=C(C)C)=C(C)C=C2O
Compound: (3E,5Z,7E,9E,11E,13E,15Z,17E,19E)-20-methyl-21-oxodocosa-3,5,7,9,11,13,15,17,19-nonaenoic acid
SMILES: O=C(O)C\C=C\C=C/C=C/C=C/C=C/C=C/C=C\C=C\C=C(\C(=O)C)/C
Compound: (42S-50R)42-hydroxypalytoxin
SMILES: O=C(NCCCO)/C=C/NC(=O)[C@@H](O)[C@@H](C[C@@H](O)/C=C(/[C@@H](O)[C@@H](O)C[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CCCCC[C@@H](C[C@H]2O[C@@]3(C[C@H](C[C@]2(O3)C)C)CCCCCCC[C@H](O)[C@H](O)[C@H]4O[C@](O)([C@H](O)[C@@H]([C@H]4O)O)C[C@H](O)[C@H](/C=C/[C@@H](O)CC[C@@H](O)[C@@H](O)[C@H]5O[C@@H]([C@@H](O)[C@@H](C5)O)C[C@@H](O)[C@H](O)C[C@H]6O[C@H]([C@H](O)[C@H]([C@@H]6O)O)C[C@H](O)\C=C/C=C/C[C@@H](O)[C@H](O)[C@H](O)C/C=C\C(=C)CC[C@H](O)[C@@H](O)[C@H](O)[C@@H](C[C@H]7O[C@H](/C=C\[C@@H](O)[C@H](O)C[C@H]8O[C@@H]9[C@@H](CC[C@H]%10O[C@H](CN)C[C@H]%10O)O[C@H](C8)C9)[C@@H](O)[C@@H]([C@H]7O)O)C)C)C)\C)C
Compound: Actinomycin Z4
SMILES: O=C1OC([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(OC5C)=O)C)C)=O)CC(C6C)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7C(C)CC[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: Viridomycin F
SMILES: [Fe].O=CC1=CC(=NO)C(O)C=C1.O=CC1=CC(=NO)C(O)C=C1.ON=C1C=C(C=CC1O)CO
Compound: Omphalotin
SMILES: O=C1N([C@H](C(=O)N(CC(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@@H](C(=O)N([C@H](C(N(CC(N[C@H](C(N([C@H](C(N[C@H](C(N([C@@H]1C(C)C)C)=O)[C@H](CC)C)=O)C(C)C)C)=O)CC=2C3=C(C=CC=C3)NC2)=O)C)=O)[C@H](CC)C)C)C(C)C)C)[C@H](CC)C)C)C(C)C)C)C)C(C)C)C
Compound: Trichoflectin
SMILES: O=C1C=C2C(=COC(=C2)/C=C/C)C=3[C@]1(OC(=O)C3C(=O)C)C
Compound: Streptamidine
SMILES: O=C1NC(C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC=2NC=NC2)[C@H](O)C)C)CO)=N[C@H]1CC=3NC=NC3)CC(C)C
Compound: Echinocidin A
SMILES: O[C@]12C(=C[C@@H]3CC(C[C@@H]3[C@]1(CC2)C)(C)C)CO
Compound: (42S-50S)42-hydroxypalytoxin
SMILES: O=C(NCCCO)/C=C/NC(=O)[C@@H](O)[C@@H](C[C@@H](O)/C=C(/[C@@H](O)[C@@H](O)C[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CCCCC[C@@H](C[C@H]2O[C@@]3(C[C@H](C[C@]2(O3)C)C)CCCCCCC[C@H](O)[C@H](O)[C@H]4O[C@](O)([C@H](O)[C@@H]([C@H]4O)O)C[C@H](O)[C@@H](/C=C/[C@@H](O)CC[C@@H](O)[C@@H](O)[C@H]5O[C@@H]([C@@H](O)[C@@H](C5)O)C[C@@H](O)[C@H](O)C[C@H]6O[C@H]([C@H](O)[C@H]([C@@H]6O)O)C[C@H](O)\C=C/C=C/C[C@@H](O)[C@H](O)[C@H](O)C/C=C\C(=C)CC[C@H](O)[C@@H](O)[C@H](O)[C@@H](C[C@H]7O[C@H](/C=C\[C@@H](O)[C@H](O)C[C@H]8O[C@@H]9[C@@H](CC[C@H]%10O[C@H](CN)C[C@H]%10O)O[C@H](C8)C9)[C@@H](O)[C@@H]([C@H]7O)O)C)C)C)\C)C
Compound: Cytoxazone
SMILES: O=C1O[C@@H](CO)[C@H](N1)C2=CC=C(OC)C=C2
Compound: Vertinolide
SMILES: O=C1O[C@](CCC(=O)/C=C/C=C/C)(C)C(=C1C)O
Compound: Metathramycin
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@@H](O)[C@](C4)(O)C)C)C=C3C=C2CC([C@@H]1O[C@@H]5O[C@@H]([C@@H](O)C(C5)O[C@@H]6O[C@@H]([C@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@](C7)(O)C)C)C)C)[C@H](OC)C(=O)[C@@H](O)[C@H](O)C)C
Compound: Forazoline A
SMILES: Cl[C@@]1([C@@H]2OC(=O)[C@H]3N=C([C@@]4(NC(=CC([C@@]([C@H](CCC(=C[C@H]([C@H]1C)[C@@H](C2)O[C@@H]5O[C@@H]([C@@H](N(C)C)CC5)C)C)O)(O[C@@H]6O[C@@H]([C@@H](N(C)C)CC6)C)C)=O)S([C@@H]4OC)=O)C)SC3)C
Compound: Premetathramycin
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@@H](O)[C@](C4)(O)C)C)C=C3C=C2CC5C1(O[C@@H]6O[C@@H]([C@@H](O)C(C6)O[C@@H]7O[C@@H]([C@H](O)[C@@H](C7)O[C@@H]8O[C@@H]([C@@H](O)[C@](C8)(O)C)C)C)C)C(O)=C(C(=O)[C@H]5OC)C(=O)C)C
Compound: Spumigin J
SMILES: O=C(N([C@@H](C(=O)O)CCCCN)C)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)C[C@H](C1)C
Compound: Phomaligin A
SMILES: O=C1C(=C(OC)C(C(=O)[C@H](CC)C)=C([C@@]1(O)C)NCCO)C
Compound: D8646-2-6
SMILES: O=C1OC(=CC(=C1[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO)O)/C=C/C=C/C=C/C=C/C=C/C(=C/C(/C(=O)O)=C/C(CC(CC)C)C)/C
Compound: Alnumycin
SMILES: O=C1C2=C(O)C3=C(C=C(C)O[C@@H]3CCC)C=C2C(=O)C=C1[C@H]4O[C@H]([C@H](O)CO4)CO
Compound: Streptophenazine A
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)C(C(=O)OC)C(O)CCCC(C)C)N=C2C=CC1
Compound: methyl 8-hydroxy-3-methoxy-6-methyl-9-oxoxanthene-1-carboxylate
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)OC)C=C(C)C=C2O
Compound: methyl-2-(2'-hydroxyphenyl)-2-oxazoline-
SMILES: O=C(OC)[C@H]1N=C(C2=C(O)C=CC=C2)OC1
Compound: Cis-Dihydrohomoanatoxin-A
SMILES: O=C([C@@H]1[C@@H]2N[C@@H](CC2)CCC1)CC
Compound: Aldgamycin P
SMILES: O=C1O[C@@H](C([C@@H]2O[C@H]2CCC(=O)[C@](C[C@@H](C([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]4([C@H]3O)OC(=O)O[C@H]4C)C)C)(O)C)CO[C@@H]5O[C@@H]([C@@H](O)[C@H]([C@H]5OC)OC)C)C
Compound: Benaphthamycin
SMILES: O=C1O[C@H]([C@@H](O)C=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@@H](O)CC3C2)OC)=O)C
Compound: Aspernolide G
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(O)(C)C)C(=C1OCC)C3=CC=C(O)C=C3
Compound: methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate
SMILES: O=C(OC)C1=C(C(OC)=CC(=C1)OC)C(=O)C2=C(O)C=C(C)C=C2O
Compound: Tricycloalternarene E
SMILES: O=C1C2=C(O[C@]3(CC=C([C@]3(C2)O)C(CCCC(CO)C)C)C)CC[C@@H]1O
Compound: Xenoamicin C
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]2N(C(=O)CCC)CCC2)C)C(C)C)CC(C)C)[C@@H](CC)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(NCCC(N3[C@@H](C(N[C@H]1C(C)C)=O)CCC3)=O)=O)C)C(C)C)[C@@H](CC)C)C(C)C)C
Compound: Trans-Dihydroanatoxin-A
SMILES: O=C([C@H]1[C@@H]2N[C@@H](CC2)CCC1)C
Compound: LL-14I352beta
SMILES: O=C(O)C=1C2=NC=3C(=C(C=CC3OC)CO)N=C2C=CC1
Compound: Chloromonilinic acid B
SMILES: Cl/C(/C=1OC2=C(C(O)=CC(=C2)C)C(C1CC(=O)OC)=O)=C/C(=O)O
Compound: Thiazinotrienomycin F
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)C4=CCCCC4)C)C=C2N=C1
Compound: Actinomiaolone
SMILES: O=C1O[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC1
Compound: Trans-Dihydrohomoanatoxin-A
SMILES: O=C([C@H]1[C@@H]2N[C@@H](CC2)CCC1)CC
Compound: UDP-D-galactosamine
SMILES: N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Compound: Chloromonilinic acid A
SMILES: Cl/C(/C=1OC2=C(C(O)=CC(=C2)CO)C(C1CC(=O)OC)=O)=C/C(=O)O
Compound: Saricandin
SMILES: O=C(O[C@@H]1[C@@H](O)[C@]2(O[C@@H]([C@H]1O[C@@H]3O[C@H]([C@@H](O)[C@@H]([C@H]3O)O)COC(=O)/C=C/C4=CC=CC=C4)CO)OCC=5C2=C(O)C=C(O)C5)/C=C/C=C/C[C@@H](O)/C=C/C=C/CCCCC
Compound: 2(S)-hydroxyalbicanol
SMILES: O[C@@H]1C[C@]2([C@@H](CCC([C@@H]2CO)=C)C(C1)(C)C)C
Compound: Esmareldine A
SMILES: O=C(O)C=1C2=NC=3C(=C(C=CC3)C(OC(=O)CCCCCCCCCCCCC)C)N=C2C=4C(C=5C=CC=C6C5N(C4C1)C7=C(C(C(=O)O)=CC=C7)N6)C
Compound: Nodulapeptin 915a
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)CCSC)C
Compound: 10-Methyldodecan-5-olide
SMILES: O=C1OC(CCC1)CCCCC(CC)C
Compound: Zizanin-B
SMILES: O=C1[C@@H]2[C@@H](C=O)CC[C@H]3[C@@](O)([C@H](CCCC(C)C)C)CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C
Compound: Esperamicin A2c
SMILES: S(SC/C=C\1/C2=C(NC(=O)OC)C(=O)C(C1(O)C#CC=CC#CC2O[C@H]3O[C@H]([C@H](NO[C@H]4O[C@H]([C@H](SC)[C@@H](C4)O)C)[C@H]([C@@H]3O[C@@H]5OC[C@H](NC)[C@H](C5)OC)O)C)O[C@@H]6O[C@H]([C@@H](OC(=O)C7=C(NC(=O)C(OC)=C)C=C(OC)C(=C7)OC)[C@H](C6)O)C)SC
Compound: 7⬘-Acetyl-seco-dihydropyrenophorin
SMILES: O=C(O[C@@H](CCC(=O)/C=C/C(=O)O)C)/C=C/[C@@H](O)CC[C@H](OC(=O)C)C
Compound: Sorbicillamine E
SMILES: O=C1C(=C(O)C=CC=CC)[C@@H]2[C@](O)(C)C([C@]1([C@@H](C=CC)[C@@H]2C(=O)C=3C(=N)[C@@](O)([C@]4(O[C@@]5([C@H]([C@]4(C3O)C)/C(/C(O)=C(C)C5=O)=C(/O)\C=CC=CC)C)O)C)C)=O
Compound: 6-methoxyaromadendrin 3-O-acetate
SMILES: COc1c(O)cc2O[C@@H]([C@@H](OC(C)=O)C(=O)c2c1O)c1ccc(O)cc1
Compound: Zizanin-A
SMILES: O=C1[C@@H]2[C@@H](C=O)CC[C@H]3[C@@H]([C@H](CCCC(C)C)C)CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C
Compound: 2'3'-dihydrosorbicillin
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)C)C)CC/C=C/C
Compound: Nodulapeptin 855b
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=CC=C3)=O)CO)C
Compound: Xylariaquinone A
SMILES: O=C1C(=CC(=O)C2=C1OC=3C(=C(O)C(=CC23)OC)C)C
Compound: Esperamicin A1c
SMILES: S(SC/C=C\1/C2=C(NC(=O)OC)C(=O)C(C1(O)C#CC=CC#CC2O[C@H]3O[C@H]([C@H](NO[C@H]4O[C@H]([C@H](SC)[C@@H](C4)O)C)[C@H]([C@@H]3O[C@@H]5OC[C@H](NC(C)C)[C@H](C5)OC)O)C)O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)OC(=O)C7=C(NC(=O)C(OC)=C)C=C(OC)C(=C7)OC)C)SC
Compound: Cyclo-(L-Tyrosyl-cis-4-hydroxy-D-proline
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1CC3=CC=C(O)C=C3)C[C@H](C2)O
Compound: Monocillin II
SMILES: O=C1O[C@@H](CC=CCCC=CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Bisvertinoquinol
SMILES: O=C1C(=C(O)[C@](O)(C)[C@@H]2[C@]1(C(=O)CC/C=C/C)[C@@]3(C(=O)/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@](C3=O)(O)C)C)C
Compound: [Asp3,DMAdda5,Dhb7]MC-LR
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N\C1=C/C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](O)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: Isochromophilone V
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H](O)[C@](C1=O)(O)C
Compound: Nerfilin I
SMILES: O=C(N[C@H](C=O)CC1=CC=CC=C1)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)CC2=CC=C(O)C=C2)C(C)C
Compound: Striatoid E
SMILES: O=C(O[C@@H]1C2=CC[C@@H]3C4=C(C(C)C)C[C@@H]([C@]4(C)CC[C@]3([C@@H]5[C@@H]2[C@]6(O)[C@@H](OC[C@@]1(O)[C@@H]6O)O5)C)O)C
Compound: Monocillin V
SMILES: O=C1O[C@@H](C[C@H]2O[C@@H]2CCCCC(CC=3C1=C(O)C=C(O)C3)=O)C
Compound: Fosfazinomycin A
SMILES: [P+](O)(O)(N(NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CCCN=C(N)N)C)C(O)C(=O)OC
Compound: [D-Asp3,Dhb7]MC-AhaR
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N\C1=C/C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCCCC)C
Compound: Penitrem G
SMILES: O1C([C@@H]2[C@H]3C=4C(=CC=C5C4C=6[C@@H]1[C@@]7(O)[C@]([C@@]8([C@](O)(C9=C[C@@H](O)[C@@H](C(=C)C)O[C@H]9CC8)CC7)C)(C)C6N5)CC([C@H]3C2)=C)(C)C
Compound: Siamycin II
SMILES: S1SC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC([C@H]3NC(C[C@H](NC([C@@H](NC2=O)CC(=O)N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC3)C(=O)NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC=4C5=C(C=CC=C5)NC4)CC6=CC=CC=C6)=O)C(C)C)=O)[C@H](CC)C)=O)C)=O)CC7=CC=C(O)C=C7)=O)C)CC8=CC=CC=C8)=O)=O)CC(C)C)[C@@H](CC)C)CO
Compound: (7E)-7-ethyl-4,10-dihydroxy-7-undecene-3,6-dione
SMILES: O=C(/C(=C/CC(O)C)/CC)CC(O)C(=O)CC
Compound: Monocillin III
SMILES: O=C1O[C@@H](C[C@H]2O[C@@H]2CCC=CC(CC=3C1=C(O)C=C(O)C3)=O)C
Compound: [Asp3,DMAdda5]MC-RY
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](O)CC3=CC=CC=C3)C)/C)=O)CCCN=C(N)N)C
Compound: UDP-D-glucosamine
SMILES: N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Compound: CRM646-A
SMILES: O=C(OC1=CC(O)=C(C(=O)O)C(=C1)C)C2=C(O)C=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]3O)O)C=C2CCCCCCCCCCCCCCC
Compound: Fosfazinomycin B
SMILES: P(=O)(O)(N(NC(=O)[C@@H](N)CCCN=C(N)N)C)C(O)C(=O)OC
Compound: Siamycin I
SMILES: S1SC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC([C@H]3NC(C[C@H](NC([C@@H](NC2=O)CC(=O)N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC3)C(=O)NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC=4C5=C(C=CC=C5)NC4)CC6=CC=CC=C6)=O)C(C)C)=O)[C@H](CC)C)=O)C)=O)CC7=CC=C(O)C=C7)=O)C)CC8=CC=CC=C8)=O)=O)CC(C)C)C(C)C)CO
Compound: Trichorzin HA-3
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)(C)C)(CC)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: [D-Asp3,Dhb7]MC-RY
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=CC)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)CCCN=C(N)N)C
Compound: Bionectriol B
SMILES: O=C(O)C(C(O)/C(=C/C(C(O)/C(=C/C(C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)C(CC(CC(CC)C)C)C)C)/C)C)/C)C
Compound: Sordarial
SMILES: O=CC1=C(O)C=CC=C1/C=C/[C@@H](O)[C@@H](O)C
Compound: Caryoynencin B
SMILES: O=C(O)CCCC[C@H](O)/C=C\C=C\C#CC#CC#CC#C
Compound: ethyl asterrate
SMILES: O=C(OCC)C1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C(C)C=C1O
Compound: Armentomycin
SMILES: ClC(Cl)C[C@H](N)C(=O)O
Compound: 3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one
SMILES: O=C(C(C1=CC(O)C(OC)=C(C1O)OC)C)C
Compound: Heptacyclosordariolone
SMILES: O1C(O)(C=CC=2C(C1)=C(O)C=CC2)C(O)C
Compound: [Asp3,Dhb7]MC-LY
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N\C1=C/C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)CC(C)C)C
Compound: Leporin B
SMILES: O=C1N(O)C=C(C2=CC=CC=C2)C3=C1C4C(CCCC4C)C(O3)/C=C/C
Compound: Fusaruside
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/C=C/CCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCCCC
Compound: MC-YAba
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](CC)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC3=CC=C(O)C=C3)C
Compound: Sordariolone
SMILES: O=C(/C=C\C1=C(C(O)=CC=C1)CO)[C@@H](O)C
Compound: Acarviostatin I03
SMILES: O1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](N[C@H]6C=C([C@@H](O)[C@@H]([C@H]6O)O)CO)[C@@H]([C@H]5O)O)C)[C@@H]([C@H]4O)O)CO
Compound: Armochaetoglobin A
SMILES: O=C1N[C@@H](CC=2C3=C(C=CC=C3)NC2)[C@H]4[C@]1(C=5NC=CC5)[C@@H](/C=C/CC(/C=C(/C=O)\C)C)[C@@H]6O[C@]6(C)[C@H]4C
Compound: Cladospirone bisepoxide
SMILES: O=C1C=C[C@H](O)C23C1(O2)C4(OC=5C=6C(C=CC5)=CC=CC6O4)C7OC7[C@@H]3O
Compound: 12-carbamoylstreptothricin E acid
SMILES: O=C(OCC1OC(NC2=N[C@H](C(=O)O)[C@H](N2)[C@H](O)CN)C(NC(=O)CC(N)CCCNC(=O)CC(N)CCCN)C(C1O)O)N
Compound: MC-RApa
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](C(C)C)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCCN=C(N)N)C
Compound: Cis-Sordariol
SMILES: OC1C=CC=C(C1CO)/C=C\C(O)C(O)C
Compound: Acarviostatin II03
SMILES: O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]8O[C@@H]([C@@H](N[C@H]9C=C([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@@H]([C@H]8O)O)C
Compound: Collismycin B
SMILES: S(C1=C(OC)C=C(C2=NC=CC=C2)N=C1/C=N\O)C
Compound: Victoricine
SMILES: Cl/C=C\1/NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(O)O)CC(C)C)[C@@H](O)CCCN)[C@H](OC=2C=CC(=CC2C[C@@H](NC1=O)C(=O)O)O)C(C)C
Compound: Karnamicin B3
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)CCCC(O)(C)C
Compound: MC-RL
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](CC(C)C)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCCN=C(N)N)C
Compound: Variapeptin
SMILES: O=C1OC(C(NC(=O)C(O)(C2(OC(C(CC(CC)C)CC2)C)O)C)C(=O)N3NCCCC3C(=O)N(O)C(C)C(N(C(C(N4C(C(NC1CO)=O)CCCN4)=O)CC5=CC=CC=C5)C)=O)C(C)C
Compound: Trihazone C
SMILES: O=C1OC(CC(=O)O)C(C1=C(O)/C(=C/CC/C=C/C=C/C(CC(=O)O)C)/C)=O
Compound: Collismycin A
SMILES: S(C1=C(OC)C=C(C2=NC=CC=C2)N=C1/C=N/O)C
Compound: Acarviostatin III03
SMILES: O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]8O[C@@H]([C@@H](N[C@H]9C=C([C@@H](O[C@H]%10O[C@@H]([C@@H](O[C@H]%11O[C@@H]([C@@H](N[C@H]%12C=C([C@@H](O)[C@@H]([C@H]%12O)O)CO)[C@@H]([C@H]%11O)O)C)[C@@H]([C@H]%10O)O)CO)[C@@H]([C@H]9O)O)CO)[C@@H]([C@H]8O)O)C
Compound: MC-RF
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](CC2=CC=CC=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CCCN=C(N)N)C
Compound: (3Z,5E,9S,11E,13E,15S)-16-[(E)-3,9-dihydroxy-4,8-dimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
SMILES: O=C1OC([C@@H](OC)C=CC=C(C[C@@H](C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C(=O)/C=C/C(C(O)CC)C)C)C
Compound: Polyoxypeptin
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@](O)([C@@]2(O[C@@H]([C@@H](C[C@H](CC)C)CC2)CC)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(N4[C@@H](C(N5[C@H](C(N([C@H]1C(C)C)O)=O)[C@](O)(CC5)C)=O)C[C@@H](O)CN4)=O)C(C)C
Compound: Trihazone F
SMILES: O=C1OC(=C)C(C1=C(O)/C(=C/CC/C=C/C=C/[C@H](CC(=O)O)C)/C)=O
Compound: Cytostatin
SMILES: P(=O)(OC(C(C(O)/C=C\C=C/C=C/C)C)CCC(C1OC(=O)C=CC1C)C)(O)O
Compound: Acarviostatin IV03
SMILES: O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]%11O[C@@H]([C@@H](N[C@H]%12C=C([C@@H](O[C@H]%13O[C@@H]([C@@H](O[C@H]%14O[C@@H]([C@@H](N[C@H]%15C=C([C@@H](O)[C@@H]([C@H]%15O)O)CO)[C@@H]([C@H]%14O)O)C)[C@@H]([C@H]%13O)O)CO)[C@@H]([C@H]%12O)O)CO)[C@@H]([C@H]%11O)O)C
Compound: [Dha7]MC-RY
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](CC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CCCN=C(N)N)C
Compound: 8alpha-monoacetoxyphomadecalin D
SMILES: O=C(O[C@H]1C=C2C=C[C@@H](O)[C@@H]([C@@]2(C)[C@@H]3[C@]1(O3)C(=C)CO)C)C
Compound: Trihazone B
SMILES: O=C1OC(CC(=O)O)C(C1=C(O)/C(=C/CC/C=C/C=C/C(CCO)C)/C)=O
Compound: Aurantricholide A
SMILES: O=C1OC2=CC=3C=C(O)C(=CC3OC2=C1C4=CC=CC=C4)O
Compound: Thiangazole
SMILES: S1C(=N[C@@](C1)(C=2SC[C@](N2)(C=3SC[C@](N3)(C=4OC(C)=C(N4)C(=O)NC)C)C)C)/C=C/C5=CC=CC=C5
Compound: [NMe-Ser7]MC-RY
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](CC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N([C@H]1CO)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CCCN=C(N)N)C
Compound: Citreopyrone A
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C=O
Compound: 3-Methoxy-5-methylbenyene-1,2-diol
SMILES: O(C1=C(O)C(O)=CC(=C1)C)C
Compound: APE Ec
SMILES: O=C(OC)/C=C/C=C/C=C/C=C/C=C/C=C/C1=CC(=C(O)C=C1)C
Compound: Quinolidomicin B1
SMILES: S(C=1C(=O)C=C(O)C(C1C(OC)CCC(/C=C/C=C/C2OC(=O)CC3(OC(C(C(O)C(C=CC=C(C(O)C(C(O)CC(O)C(CCC(O)CC(O)CC(O)C=CC=CCC(CC(CC(C=CC=CC=CCC(CC(CCCCCCCC(CC(C2)O)O)O)O)O)=O)O)C)C)C)C)C)C(C)C(C3)O)O)C)=O)C
Compound: MC-RY(OMe)
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](CC2=CC(OC)=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CCCN=C(N)N)C
Compound: Bispolide B2b
SMILES: O=C1OC(C(C=CC=C(C=CC(=O)OC(C(C=CC=C(C=C1)CC)CC)C(C(O)CC2(OC(C(CC)C(C2)OC3OC(C(O)C(C3)O)C)C)O)C)CC)CC)C(C(O)CC4(OC(C(CC)C(C4)OC5OC(C(O)C(C5O)O)C)C)OC)C
Compound: Trihazone E
SMILES: O=C1OC(=C)C(C1=C(O)/C(=C/CC/C=C/C=C/[C@H](CCO)C)/C)=O
Compound: APE Vf
SMILES: O=C(OC)/C=C/C=C/C=C/C=C/C=C/C=C/C1=CC(=C(O)C(=C1)C)C
Compound: 6-methylcurvulinic acid
SMILES: O=C(O)CC1=C(C(O)=C(C)C(=C1)O)C(=O)C
Compound: Quinolidomicin A2
SMILES: S(C1=C(O)C=C(O)C(=C1[C@H](OC)CC[C@H](/C=C/C=C/[C@@H]2OC(=O)C[C@@]3(O[C@H]([C@@H]([C@@H](O)[C@@H](C=CC=C([C@H](O)[C@H]([C@H](O)C[C@H](O)[C@H](CC[C@H](O)C[C@@H](O)C[C@@H](O)C=CC=CC[C@H](CC(C[C@@H](C=CC=CC=CC[C@H](C[C@@H](CC[C@@H](CCCC[C@H](C[C@H](C2)O)O)C)O)O)O)=O)O)C)C)C)C)C)[C@@H](C)[C@H](C3)O)O)C)O)C
Compound: MC-RAba
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](CC)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCCN=C(N)N)C
Compound: Ilicicolin J
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)C3=C(/C=C/C)[C@@H]4[C@H](CC[C@@H](C4)C)C(=C3)C)O
Compound: Irlactin A
SMILES: O1[C@@H](OC)[C@H]2C(CO)=C3C([C@@H]1C2)([C@@H](O)CC(C3)(C)C)C
Compound: Viridisamide A
SMILES: S1C(=NC(=C1)C(=O)OC)C(NC(=O)C(NC(C=C)(C)C)CC)C(CC)C
Compound: Carbamidocyclophane E
SMILES: O=C(O[C@H]1C2=CC(O)=C(C(CCCC[C@@H]([C@@H](OC(=O)N)C3=CC(=C(C(CCCC[C@@H]1C)CCCC)C(O)=C3)O)C)CCCC)C(=C2)O)N
Compound: Quinolidomicin A1
SMILES: S(C=1C(=O)C=C(O)C(C1[C@H](OC)CC[C@H](/C=C/C=C/[C@@H]2OC(=O)C[C@@]3(O[C@H]([C@H]([C@H](O)[C@H](C=CC=C([C@@H](O)[C@@H]([C@H](O)C[C@@H](O)[C@H](CC[C@H](O)C[C@@H](O)C[C@H](O)C=CC=CC[C@H](CC(C[C@H](C=CC=CC=CC[C@@H](C[C@@H](CC[C@H](CCCC[C@@H](C[C@@H](C2)O)O)C)O)O)O)=O)O)C)C)C)C)C)[C@@H](C)[C@H](C3)O)O)C)=O)C
Compound: MC-LHph
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](CCC2=CC=CC=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CC(C)C)C
Compound: Aeruginosamide B
SMILES: S1C(=NC(=C1)C(=O)OC)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(C=C)(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)CCC2
Compound: (S)-3-p-tolylbutyl 2-hydroxy-2-methylpropanoate
SMILES: O=C(OCC[C@@H](C1=CC=C(C)C=C1)C)C(O)(C)C
Compound: Fusarochromene
SMILES: O=C(C1=C(N)C2=C(OC(C)(C)C=C2)C=C1)C[C@@H](NC(=O)C)CO
Compound: Ramariolide D
SMILES: O=C1OC(=C[C@@H](O)CCCCCCCCC=C)C=C1
Compound: [D-Leu1,Dha7]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(NC1=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)CC(C)C
Compound: Aureobasidin S4
SMILES: O=C1O[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N2CCC[C@@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(N([C@H]1C(O)(C)C)C)=O)CC(C)C)=O)C(C)C)C)=O)[C@@H](CC)C)=O)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@H]([C@H](O)C)C
Compound: Aeruginosamide C
SMILES: S1C(C(=O)OC)=CN=C1[C@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(C=C)(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)CCC2)C(C)C
Compound: 4-((Z)-but-2-enoyloxy)-12,13-epoxytrichotheca-7,9-diene
SMILES: O=C(O[C@H]1[C@@]2([C@]3(C=CC(C)=C[C@H]3O[C@H](C1)[C@]24OC4)C)C)/C=C\C
Compound: Shimalactone B
SMILES: O=C1O[C@H]2[C@@H](C)C([C@@]1([C@@]2(/C=C(/[C@H]3[C@]4(C=C(C=C([C@H]4[C@@]3([C@H](O)/C(=C/C)/C)C)C)C)C)\C)C)C)=O
Compound: Destruxin Ed1
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@H](CC(O)CO)C(N2C(C(N[C@H](C(N([C@H]1C(C)C)C)=O)[C@H](CC)C)=O)CCC2)=O)C)C
Compound: Brasilane D
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)OC/C(=C\2/[C@@H]3[C@H]([C@@H](C)CC3)CC(C2)(C)C)/CO)C
Compound: Illudadiene A
SMILES: O[C@@]1([C@@]2(O)C(C=C(C13CC3)C)=CC(C2)(C)C)C
Compound: [D-Val1]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=C)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(C)C
Compound: Marinostatin
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)C)[C@H](OC(=O)C[C@@H]3NC(=O)[C@H](COC(=O)C[C@H](NC([C@@H](NC3=O)CO)=O)C(=O)N[C@H](C(=O)O)CCC(=O)O)NC([C@H]4N(C([C@@H](NC([C@@H](NC1=O)CCCN=C(N)N)=O)CC5=CC=C(O)C=C5)=O)CCC4)=O)C)C
Compound: Aureobasidin S3
SMILES: O=C1O[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(N[C@@H](C(N([C@H](C(N[C@H](C(N([C@@H]1C(O)(C)C)C)=O)CC(C)C)=O)C(C)C)C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@H](CO)CC
Compound: Anti-12-hydroxypretenellin A
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C=C/C(=C/[C@@H]([C@H](O)C)C)/C)=O
Compound: Brasilane E
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)OC[C@]2(O[C@]23[C@@H]4[C@H]([C@@H](C)CC4)CC(C3)(C)C)C=O)C
Compound: Antanapeptin B
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: [D-Met1,D-Asp3]MC-LR
SMILES: S(CC[C@H]1NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@H](/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)NC([C@@H](NC(C[C@@H](NC([C@@H](NC1=O)CC(C)C)=O)C(=O)O)=O)CCCN=C(N)N)=O)C)C(=O)O)C)=C)C
Compound: Avoparcin alpha
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4O[C@@H]5O[C@H]([C@H](O)[C@@H](C5)N)C)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)[C@H](NC)C8=CC=C(O[C@@H]9O[C@H]([C@H](O)[C@H]([C@H]9O)O)C)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]%10C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%11O[C@H]([C@H](O)[C@@H](C%11)N)C)C(=O)N[C@@H](C%12=C(C(O)=CC(=C%12)O)C=%13C=C%10C=CC%13O)C(=O)O)=O)=O)C%14=CC=C(O)C=C%14)=O)C=C7
Compound: Aureobasidin S2b
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N([C@@H](C(N[C@H](C(N([C@@H]1C(O)(C)C)C)=O)CC(C)C)=O)C(C)C)C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@H](CCO)C
Compound: Brasilane F
SMILES: O[C@H]1[C@@H]([C@@H]2CC(C)(C)CC([C@H]2C1)=C(CO)C)C
Compound: Guignardin B
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C5=C(C(O)=CC=C5)[C@@H]6[C@H]([C@H]4O)O6
Compound: MC-HphHty
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](CCC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CCC4=CC=CC=C4)C
Compound: Ustiloxin F
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@](CC)(C)OC=2C=C([C@H]([C@@H]1NC)O)C=CC2O)C
Compound: Xylarenic acid B
SMILES: O=C(O)C(=C1[C@@H]2[C@H]([C@@H](C)[C@@H](C2)O)CC(C1)(C)C)C
Compound: Avoparcin beta
SMILES: O=C1N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C=4C(C=5C=C3C=CC5O)=C(O)C=C(O)C4)[C@H](O[C@@H]6O[C@H]([C@H](O)[C@@H](C6)N)C)C7=CC=C(OC8=CC2=CC(OC9=CC=C([C@H]([C@H](C(N[C@H]1C%10=CC=C(O)C=C%10)=O)NC(=O)[C@H](NC)C%11=CC=C(O[C@@H]%12O[C@H]([C@H](O)[C@H]([C@H]%12O)O)C)C=C%11)O)C=C9)=C8O[C@@H]%13O[C@@H]([C@@H](O)[C@@H](C%13O[C@@H]%14O[C@H]([C@H](O)[C@@H](C%14)N)C)O)CO)C=C7
Compound: Maculalactone M
SMILES: O=C1O[C@@]([C@@H](C2=CC=CC=C2)CC(=O)O)(CC3=CC=CC=C3)C(=C1CC4=CC=CC=C4)C(=O)C5=CC=CC=C5
Compound: Aureobasidin S2a
SMILES: O=C1O[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N([C@@H](C(N[C@@H](C(N([C@H]1C(O)(C)C)C)=O)CC(C)C)=O)C(C)C)C)=O)[C@H](CC)C)=O)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@H](CC)C
Compound: MC-HphHph
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](CCC2=CC=CC=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CCC4=CC=CC=C4)C
Compound: Iso-isariin D
SMILES: O=C1O[C@H]([C@H](CC)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C)=O)C)=O)CC(C)C)=O
Compound: Telomycin
SMILES: O=C1NC(C(=O)NC(C(=O)N2C(C(=O)OC(C(C(=O)NC(C(NC(C(NCC(N3C(C(NC1=CC=4C5=C(C=CC=C5)NC4)=O)C(O)CC3)=O)=O)C)=O)C(O)C)CNC(=O)C(NC(=O)CC(N)C(=O)O)CO)C)C(O)CC2)C(O)C(C)C)C(C=6C7=C(C=CC=C7)NC6)C
Compound: Corynecin III
SMILES: O=[N+]([O-])C1=CC=C([C@@H](O)[C@H](NC(=O)C(C)C)CO)C=C1
Compound: Aureobasidin S1
SMILES: [S@@](=O)(CC[C@@H]1NC(=O)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C)C([C@H](OC([C@H](N(C([C@@H](NC([C@@H](N(C1=O)C)C(C)C)=O)CC(C)C)=O)C)C(O)(C)C)=O)[C@H](CC)C)=O)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)CCC2)C
Compound: Manumycin B
SMILES: O=C1C(NC(=O)/C(=C/[C@H](CCCC)C)/C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H]3[C@@H]1O3
Compound: [D-Leu1]MC-HilR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)C[C@H](CC)C)CC(C)C
Compound: Corynecin V
SMILES: O=[N+]([O-])C1=CC=C([C@@H](O)[C@H](NC(=O)CC)COC(=O)C)C=C1
Compound: JBIR-99
SMILES: O=C1C2=C(O)C3=C(O)C=CC=C3C(C24C=C(C1C5=C6OC7(C(C(=O)CCC7O)=C(C6=C(O)C=C5C4)O)C(=O)OC)C)OC(=O)C
Compound: Ampelomin A
SMILES: O=C1C=C[C@H](O)C[C@@H]1C
Compound: Mureidomycin F
SMILES: S(CC[C@@H](NC(=O)N[C@H](C(=O)O)CC1=CC(O)=CC=C1)C(=O)N[C@@H](C(=O)N/C=C/2\O[C@@H](N3C(=O)NC(=O)C=C3)[C@@H](C2)O)[C@H](N(C(=O)[C@@H]4NCC=5C=CC(=CC5C4)O)C)C)C
Compound: [D-Met1]MC-LR
SMILES: S(CC[C@H]1NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@H](/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)NC([C@@H](NC([C@H]([C@@H](NC([C@@H](NC1=O)CC(C)C)=O)C(=O)O)C)=O)CCCN=C(N)N)=O)C)C(=O)O)C)=C)C
Compound: Polyoxin E
SMILES: O=C1N(C=C(C(=O)O)C(N1)=O)[C@@H]2O[C@H](C(NC(=O)C(N)CC(O)COC(=O)N)C(=O)O)[C@H]([C@H]2O)O
Compound: L-alanosine
SMILES: O=C(O)[C@@H](N)C[N+]([O-])=NO
Compound: 3-chloroanisylalcohol
SMILES: ClC1=C(OC)C=CC(=C1)CO
Compound: Lanosta-7,9(11),24-trien-3beta-acetyloxy-26,27-dihydroxy
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC=C(CO)CO)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C)C
Compound: Mureidomycin E
SMILES: S(CC[C@@H](NC(=O)N[C@@H](C(=O)O)CC1=CC(O)=CC=C1)C(=O)N[C@H](C(=O)N/C=C/2\O[C@H](N3C(=O)NC(=O)C=C3)[C@H](C2)O)[C@@H](N(C(=O)[C@@H]4NCC=5C(O)=CC=CC5C4)C)C)C
Compound: Polyoxin F
SMILES: O=C1N(C=C(C(=O)O)C(N1)=O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)N3[C@@H](C(=CC)C3)C(=O)O)[C@H]([C@H]2O)O
Compound: [D-Leu1,D-Asp3]MC-RR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)CC(C)C
Compound: Cutimycin
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NC(C(=O)N[C@@H](C(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=C\C)[C@H](O)C
Compound: Trichoether C
SMILES: O1[C@@](OC)([C@H](OCC2=C(O)C=CC=C2CCC)C([C@H]1OC)=CC=CC=CC)C
Compound: Reductoleptomycin A
SMILES: O=C1OC(/C=C/C(=C\C(C/C=C\C(=C/C(C(=O)C(C(O)C(C/C(=C\CO)/C)C)C)C)\C)C)/C)C(C)C=C1
Compound: Microcystin-HilR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)NC(C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(NC([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)C[C@H](CC)C)C
Compound: [D-Phe1]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=C)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)CC3=CC=CC=C3
Compound: Polyoxin G
SMILES: O=C1N(C=C(CO)C(N1)=O)[C@@H]2O[C@H](C(NC(=O)C(N)CC(O)COC(=O)N)C(=O)O)[C@H]([C@H]2O)O
Compound: Spirodihydrobenzofuranlactam VI
SMILES: O=C1N(C(C(=O)O)CCCCN2C(=O)C=3C=C4OC5(C6(C(C(C(O)CC6)(C)C)CCC5C)C)CC4=C(C3C2)O)CC7=C1C=C8OC9(C%10(C(C(C(O)CC%10)(C)C)CCC9C)C)CC8=C7O
Compound: Corbomycin
SMILES: O=C1NC2C(=O)NC(C(=O)NC(C(=O)NC(C3=CC(O)=CC(=C3)O)C(=O)O)C=4C(C=5C=C(C2)C=CC5O)=C(O)C=C(O)C4)CC6=CC=C(OC=7C=C8C1NC(=O)C9NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C%10=CC=C(O)C=C%10)C=%11C=C(C=C(OC=%12C=C9C=CC%12O)C%11)O)CC=%13C%14=C(C=C(C(=C8)C7O)C=C%14)NC%13)C=C6
Compound: Pradimicin Q
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C(=C(C)C=C4[C@@H](C3)O)C(=O)O)C(=C2C(=O)C=5C1=C(O)C=C(O)C5)O
Compound: Anthcolorin D
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: [D-Leu1]MC-RR
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=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCCN=C(N)N)CC(C)C
Compound: Pyoverdin Pf 2/2/1
SMILES: O=C1NC(C(=O)NC(C(=O)NCCCCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2[N+]3=C(NCC2)C(NC(=O)CCC(=O)O)=CC=4C3=CC(O)=C(C4)O)CO)CCCCN)CCCN(O)C=O)CO)CCCN(O)C=O