MonarchInit/C3PO huggingface dataset:
Compound: Beta-Phenylethyl propionamide
SMILES: O=C(NCCC1=CC=CC=C1)CC
Compound: Glucosylsucrose derivative 4
SMILES: O1C(O[C@@]2(OC(CO)[C@@H]([C@H]2O)O)CO)C(O[C@H]3OC([C@@H](O)C([C@@H]3O[C@H]4OC([C@@H](O)C(C4O[C@H]5OC([C@@H](O)C([C@@H]5O[C@H]6OC([C@@H](O)C(C6O)O)CO)O)CO)O)CO)O)CO)C(O)C(C1CO)O
Compound: Solwaric acid A
SMILES: O=C(O)CCCCCCCC1=C(C=C(C)C=C1)CC=C
Compound: BBGL-I
SMILES: O=C(OC[C@H]1O[C@@H](OC2CC3=CC[C@H]4[C@H]5[C@]([C@@H]([C@@H](CCCC(C)C)C)CC5)(C)CC[C@@H]4[C@@]3(C)CC2)[C@H](O)[C@H]([C@H]1O)O)CCCCCCCCCCCCCCC
Compound: Curvacin A
SMILES: SCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CS)CO)CC1=CC=C(O)C=C1)CC(=O)N)C(C)C)CC2=CC=C(O)C=C2)C(=O)NC(C(=O)NC(C=O)CC(=O)N)CC(=O)N
Compound: 1-hydroxy-2-nonylquinolin-4-one
SMILES: O=C1C2=C(N(O)C(=C1)CCCCCCCCC)C=CC=C2
Compound: 35-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol
SMILES: OC(C(O)C(O)C([C@@H]1[C@H]2[C@]([C@H]3C=C[C@@H]4[C@@]5([C@H](C([C@@H](C)CC5)(C)C)CC[C@]4([C@]3(C)CC2)C)C)(C)CC1)C)C(O)C(O)CN
Compound: Bisabosqual A
SMILES: O=CC1=C(C=C2O[C@](CCC=C(C)C)(C)[C@H]3[C@H]4C2=C1O[C@H]4[C@@](O)(CC3)C)C=O
Compound: Curvularide A
SMILES: O=C(N[C@@H]([C@H](CC)C)CO)/C=C/[C@@](O)([C@@H](O)[C@H](C[C@H](O)CC)C)C
Compound: Lichenysin G13
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCC(CC)C
Compound: Leucanicidin
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C(C)C(C2)O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3OC)O)C)C(C)C)O)C)C
Compound: Gymnopilene
SMILES: OC(C=C)(CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)C)\C)C
Compound: Fredericamycin B
SMILES: O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C
Compound: Antimycin A3a
SMILES: O=C1O[C@H]([C@H](OC(=O)C(CC)C)[C@@H](CCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: 22E,24R-3beta, 5alpha ,6alpha-trihydroxyergosta-7, 22-diene
SMILES: O[C@]12[C@@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=C[C@@H]1O)(CC[C@@H](C2)O)C
Compound: Epoxysorbicillinol
SMILES: O=C1C(=C(O)[C@](O)(C)[C@@H]2[C@]1(O2)C(=O)/C=C/C=C/C)C
Compound: Macrolactin H
SMILES: O=C1OC(CCCC=CC=CC(O)CC(O)CC=CC=CC(CC=CC=C1)O)C
Compound: Microginin 51-B
SMILES: O=C(N[C@H](C(=O)O)CC1=CC=C(O)C=C1)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](NC)CCCCCCC)CC3=CC=C(O)C=C3)C)C(C)C)C)CC4=CC=C(O)C=C4)CCC2
Compound: Ascaulitoxin
SMILES: O=C(O)C(N[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)CC(N)C(O)CC(N)C(=O)O
Compound: Hebelophyllene B
SMILES: O[C@@H]1C(=CC[C@@H](O)C([C@@H]2[C@H]([C@@H]1O)C(C2)(C)C)=C)C
Compound: Neoilludin B
SMILES: O=C1C2=C([C@@](O)(C)C3([C@@]1(O)C)CC3)[C@@H](O)[C@@]([C@H]2O)(CO)C
Compound: Gombapyrone B
SMILES: O=C1OC(=C(C)C(=C1C)O)C/C=C(/C=C\C=C/C2=C(C=C(C)C=C2)CC=C)\C
Compound: Maniwamycin B
SMILES: OC(C(N=[N+]([O-])C=CCCCC)C)C
Compound: TC-705A
SMILES: O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC(O)C(O)(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C(O)C(O)(C)C)O4)(C)C
Compound: 15G256pi
SMILES: O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](O)C)C)C
Compound: Antafumicin B
SMILES: O=C1O[C@H](C2=C(O)C(C(=O)C)=CC=C2O)C[C@@H]1OC
Compound: Anhydrofusarubin lactol
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)C3=C1C=C(C)O[C@@H]3O)O
Compound: Asperiamide C
SMILES: O=C(NC([C@H](O)/C=C/CC/C=C(/CCCCCCCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCC
Compound: 7,7'-Dichlorohypericin
SMILES: ClC1=C(O)C2=C(O)C3=C4C(=C5C(=CC(C6=C5C=7C4=C2C(=C1O)C8=C(O)C(Cl)=C(O)C(C87)=C6O)=O)C)C(C)=CC3=O
Compound: Lahorenoic acid A
SMILES: O=C(O)CCCCCC1=C(C=CC=C1)/C=C/C(=O)C
Compound: Aogacillin B
SMILES: O=C1O[C@@]2(C(=C)C([C@]1(O)C)=O)C(CCCC2C)CC
Compound: 5-chlorobohemamine C
SMILES: Cl[C@@H]1[C@@H](O)[C@]2(C(=O)C=C(N2[C@H]1C)NC(=O)C=C(C)C)C
Compound: Methoxycarboxylic acid 42
SMILES: S1C(=NC(=C1)/C=C(/[C@@H](OC)CC(=O)O)\C)C
Compound: 2,7-dihydroxy-2,4-dimethyl-3(2H)-benzofuranone
SMILES: O=C1C2=C(C=CC(=C2O[C@@]1(O)C)O)C
Compound: Oblongolide P
SMILES: O=C1OC[C@@H]2[C@]1([C@@H]3[C@@H](C=C2)C[C@@H](C)[C@@H](C3)O)C
Compound: Furaquinocin I
SMILES: O=C1C(OC)=C(C(=O)C2=C1C=C(O)C3=C2O[C@H](C)[C@@]3([C@H](O)C/C=C(/C(=O)O)\C)C)C
Compound: Arecoic acid D
SMILES: O=C(O)C1=C([C@H](O)C[C@@H]2[C@@]1(CCC[C@@]2(C(=O)O)C)C)C
Compound: Antimycin A11
SMILES: O=C1O[C@H]([C@H](OC(=O)CCC(C)C)[C@@H](CCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Sorbiquinol
SMILES: O=C1C(=C(O)/C=C/C=C/C)[C@H]2[C@@](O)(C)C([C@]1([C@H](/C=C/C)[C@H]2C(=O)C3=C(O)C(=C(O)C(=C3)C)C)C)=O
Compound: Aspochalasin G
SMILES: O=C1C=CC2OC2CCC(=CC3C14C(=O)NC(C4C(C)C(=C3)C)CC(C)C)C
Compound: Inoscavin C
SMILES: O=C1OC(=CC2=C1C(=C(C3=CC(O)=C(O)C=C3)O2)C(=O)C)/C=C/C4=CC(O)=C(O)C=C4
Compound: Alteramide B
SMILES: O=C1NCCC[C@@H]2NC(=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: Bengamide E'
SMILES: O=C1NCCCC[C@@H]1NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(CC)C
Compound: Tramspiroin C
SMILES: O1[C@@H]2[C@@]3(C=C(C)[C@@H](C3)O)[C@H](CC[C@@H]2[C@@H](C1)C)C
Compound: Penicolinate C
SMILES: O=C(OC)C1=NC=C(CCCCCCCCC2=CN=C(C(=O)OC)C=C2)C=C1
Compound: CJ-16,367
SMILES: O=C1N2C(OC)(C(C(=O)O)CC2)C=C1C(=O)C3C4C(C=C(C3C)C)(CC(C)CC4)C
Compound: Trehalostatin
SMILES: O1[C@H](N=C2O[C@@H]3[C@@H](O)[C@@H](O)[C@]([C@@H]3N2)(O)CO)C(O)C(O)[C@@H](C1CO)O
Compound: Aeruginosin DA511
SMILES: O=C(N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)[C@H]4C[C@@H](O)CC[C@H]4C1
Compound: 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-2,5,8,11,14,17,20,23-octaoxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)O)CCCCCCCCCCC
Compound: Actinoallolide E
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)CC=C(CC2(OC(C1)=C(C2=O)CC)C)C)C)[C@@H](CC(=C[C@@H]([C@@H](O)[C@@H](C(=O)CC)C)C)C)C
Compound: Rutilin A
SMILES: O=C1/C(/C2=C(COC(=C2)/C=C/COC(=O)C)C(C1(OC(=O)C3=C(O)C=C(O)C=C3C)C)=O)=C\C=C\C=4OCC=5C(=O)[C@@](O)(C)[C@@H](CC5C4)OC(=O)C6=C(O)C=C(O)C=C6C
Compound: Carboxymycobactin-7
SMILES: O=C1N(O)CCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C2N=C(C3=C(O)C=CC=C3)OC2C)CCCCN(O)C(=O)/C=C\CCCCCCCCCC(=O)O)CC)C
Compound: Corynether lactone A
SMILES: O=C1OCC=2C1=C(OC3=C(O)C=C(O)C=C3C)C=C(O)C2
Compound: (16S*,18S*,19R*)-12,18-dihydroxy-19-methoxy-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(7),13(E)-diene-1,21-dione
SMILES: O=C1[C@]23C(=O)N[C@@H]([C@H]2[C@@H](C)C(=C[C@H]3C=CC[C@H](C[C@]([C@H](C1)OC)(O)C)C)CO)CC4=CC=CC=C4
Compound: Pyoverdin Pf/3 ATCC 17400
SMILES: O=C1N(CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C2NC(=NCC2)[C@H](NC(=O)[C@@H](N(O)C(=O)CNC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]3[N+]4=C(NCC3)C(NC(=O)CCC(=O)N)=CC=5C4=CC(O)=C(C5)O)C)CCCCN)CC(=O)N)CCC(=O)N)CO)C)C
Compound: Brunsvicamide C
SMILES: O=C1N([C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)C(C)C)=O)NC(=O)N[C@@H](C(=O)O)[C@@H](CC)C)CC2=CC=CC=C2)CC(=O)C3=C(NC=O)C=CC=C3)C
Compound: Cyclopiamide F
SMILES: O=C1NC=2C=CC=C3C2C1=C4C(=O)NC(C4=C3)(C)C
Compound: Cochinmicin I
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)C=2NC=CC2)CC3=CC=CC=C3)C(=O)NC(C(=O)N[C@@H](C(N[C@@H](C(N[C@@H]1C4=CC(O)=CC(=C4)O)=O)C5=CC(O)=CC(=C5)O)=O)C)CC6=CC=CC=C6)C
Compound: Dihydromaltophilin
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](CC)C[C@@H]5C4)C)[C@H](C3)O
Compound: Necatorone
SMILES: O=C1C(O)=C2N=C3C(=CC(=O)C=C3)C4=C2C(=C1)C=CN4
Compound: (trans)-emodin-physcion bianthrone
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(C3C4=C(C(=O)C5=C3C=C(C)C=C5O)C(O)=CC(=C4)O)C=6C1=C(O)C=C(C)C6
Compound: Incarnal
SMILES: O=C1C(=C)[C@]2([C@@]3(O)C(C(=O)C(C3)(C)C)=CC2=C1)C
Compound: 18-desoxycytochalasin C
SMILES: O=C1[C@H](C=C[C@@H](OC(=O)C)[C@@]23C(=O)N[C@H](C2C(C)=C([C@H]([C@@H]3C=CC[C@@H]1C)O)C)CC4=CC=CC=C4)C
Compound: Seco-patulolide C
SMILES: O=C(O)/C=C/[C@@H](O)CCCCCC[C@H](O)C
Compound: 2-methoxypsoromic acid
SMILES: O=C1OC2=C(C(C(=O)O)=CC(=C2C)OC)OC3=C1C(=C(OC)C(=C3C=O)O)C
Compound: Vaccinol A
SMILES: O1[C@H]2O[C@H]([C@@H]1C=CC3=C2C(O)=CC=C3CC=C(C)C)C
Compound: Terretonin A
SMILES: O=C1C(O)=C2[C@@](CCC(C2(C)C)=O)(C)[C@@H]3[C@@]1([C@@H]4C(=O)O[C@](C(=O)OC)(C)C([C@]4(C(=C)C3)C)=O)C
Compound: Monamidocin
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](O)CCCN=C(N)N)CC1=CC=CC=C1
Compound: 12-epi-hapalindole J isonitrile
SMILES: [N+](#[C-])[C@H]1[C@](C=C)(CC[C@H]2[C@@H]1C=3C4=C(C=CC=C4NC3)C2(C)C)C
Compound: Gibepyrone F
SMILES: O=C1OC(C(=O)C)=CC=C1C
Compound: 2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
SMILES: O(C1=C(C(C#CC(=C)C)=C(O)C=C1)CO)C
Compound: Gelastatin A
SMILES: O=C1OC/C(=C/C=C/C=C/C)/C=C1CCC(=O)O
Compound: N-[(Z)-dodec-3-enyl]-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
SMILES: O(C1=C(NC(=C1)C=2NC=CC2)C=NCC/C=C\CCCCCCCC)C
Compound: Lynamicin E
SMILES: ClC1=CC2=C(NC=C2C=3C(=C(C(=O)OC)NC3C(=O)OC)C=4C5=C(C=CC=C5)NC4)C=C1
Compound: A90720A
SMILES: S(=O)(=O)(OC[C@@H](O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H](CC(C)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)[C@H](O)CC2)CCCN=C(N)N)CC(C)C)O
Compound: Epoxyquinomicin B
SMILES: O=C1C=C(NC(=O)C2=C(O)C=CC=C2)C(=O)[C@@H]3[C@]1(O3)CO
Compound: Ganoderic acid C6
SMILES: O=C1C2=C(C(=O)C[C@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1O)C)[C@@H](CC(=O)C[C@H](C(=O)O)C)C)C
Compound: Wortmannilactone H
SMILES: O=C1OC2C(C)C(C1([C@]2(/C=C/C=C/C=C/C=C(/[C@@H]3O[C@H](C(C)=C[C@]3(O)C)C)\C)C)C)=O
Compound: Carbamidocyclophane B
SMILES: ClC(Cl)CCCC1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCCC(CCCCCl)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: Calcaride D
SMILES: O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)CO)C)C)C
Compound: (22E,24R)-ergosta-7,9(11),22-triene-3beta,5alpha,6beta-triol
SMILES: O[C@]12[C@@](C=3C([C@H]4[C@]([C@@H]([C@@H](/C=C/C(C(C)C)C)C)CC4)(C)CC3)=C[C@H]1O)(CC[C@@H](C2)O)C
Compound: Bendigole A
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H]([C@@H](C(=O)O)C)CC4)(C)[C@H](C3)O)CC2)(C)C=C1
Compound: 3-[(3S,6S,9S,12S,15S,18S,21S,25R)-9-(carboxymethyl)-12-methyl-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-25-pentadecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C)=O)CC(C)C)CCC(=O)O)CCCCCCCCCCCCCCC
Compound: Thalabetaospiramide E1
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)C(C)C)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Kasanosin B
SMILES: O=C1C2=C(C=C(/C=C/CO)OC2)C[C@@H]([C@@]1(OC(=O)C3=C(O)C=C(OC)C=C3C)C)O
Compound: 1,2-dihydroxymintlactone
SMILES: O=C1O[C@@H]2[C@@H](O)[C@](O)(C)CCC2=C1C
Compound: PD-118576-A2
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H](C(=O)C[C@@H](OC(=O)/C=C/C(=O)O)[C@@H]([C@H](O)C)C)C)C
Compound: AB-023b
SMILES: O=C1OC(C(C=CC=CC=CC=CC=CC(O)C(C(CC(CC(CCCC(CC(C1CC)O)O)O)O)O)C)C)C
Compound: Pyrenomycin
SMILES: O=C1O[C@@H]([C@@H](O)CC)CC=2C1=C(O)C=C(O)C2
Compound: N-formylloline
SMILES: O=CN(C1C2N3CC[C@@H]2O[C@@H]1C3)C
Compound: Gobienine B
SMILES: O=C1O[C@H]2[C@H](O[C@H]3[C@H](O[C@H](CCCCCCCCCCCCC[C@H]4[C@H]1[C@H](C(=O)O4)C)C)O[C@H](CO)[C@H]([C@@H]3O)O)O[C@@H](C)[C@@H]([C@H]2O)O
Compound: Sparoxomycin A1
SMILES: [S@@](=O)(C[S@](=O)C)C[C@@H](NC(=O)/C=C/C=1C(=O)NC(=O)NC1C)CO
Compound: Glioclatine
SMILES: S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4(C2)C=6C7=C(C=CC=C7)NC6)C([C@]1(N(C)C3=O)C)=O
Compound: Hexatenuin C
SMILES: O=C1OCC(C1C)(O)C(=O)C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)CC(=O)OC)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C
Compound: Altromycin H
SMILES: O=C1C2=C3OC(=CC(C3=C(O)C=C2C(=O)C=4C1=C(O)C(=CC4)C5OC(C(OC6OC(C(O)C(C6)OC)C)C(C5)(NC)C)C)=O)C7(OC7C)C
Compound: 4,8-Dimethylnona-3,7-dien-2-ol
SMILES: O[C@H](/C=C(/CCC=C(C)C)\C)C
Compound: (3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
SMILES: O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)C(C)C
Compound: 6-Hydroxysordaricin
SMILES: O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C=O)C3)C[C@H](O)[C@H]4C)CO)C(C)C
Compound: 3,11,12-trihydroxycadalene
SMILES: OC=1C(=CC2=C(C=CC(=C2C1)C)[C@@](O)(CO)C)C
Compound: Bicycloalternarene 5
SMILES: O=C1C(=C(O)C(OC)CC1)CC2C(O)(CCC2/C(=C\CC=C(C)C)/C)C
Compound: 3-hydroxy-5-oxohexanoate
SMILES: CC(=O)CC(O)CC([O-])=O
Compound: Interfungin A
SMILES: O=C1OC(=CC(=C1/C(/C(/O)=C/C(=O)C)=C/C2=CC(O)=C(O)C=C2)O)/C=C/C3=CC(O)=C(O)C=C3
Compound: Tetrahydroaltersolanol D
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@H]3[C@H]1C[C@@H](O)[C@](C3)(O)C
Compound: Hybocarpone
SMILES: O=C1C2=C(O)C(O)=C(C)C(=C2C(=O)[C@]3([C@@]1(O[C@]4(O)C(=O)C=5C(O)=C(O)C(=C(C5C([C@]34CC)=O)O)C)O)CC)O
Compound: Decaspirone H
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C=C[C@H](O)[C@H]5[C@H]4[C@H](O)[C@@H](O)C[C@@H]5O
Compound: (S)-tenellic acid B dimethyl acetal
SMILES: O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C(OC)OC)[C@@H](O)CC(C)C
Compound: (1S,4R,7R,9S)-9-[(1S,4R,7R,9S)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H](CC(C)C)NC([C@H]8C6)=O)C[C@@H]2C(=O)N[C@@H]1C(C)C
Compound: 13-Demethoxy-ascomycin 9,14-hemiacetal isomer
SMILES: O=C1N2[C@H](C(=O)O[C@H](/C(=C/[C@H]3C[C@@H](OC)[C@H](O)CC3)/C)[C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C[C@@H](C[C@@H]([C@H]4O[C@]1(O)C(=O)[C@@H](CC4)C)OC)C)C)C)CCCC2
Compound: Salinamide B
SMILES: ClC[C@]1(O)C=CC(=O)NCC(=O)OC[C@H]2NC(=O)[C@H]([C@@H](O)C)NC([C@H](N(C([C@@H](C3=CC=C(O[C@H]1C)C=C3)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](OC2=O)C)NC(=O)[C@H]([C@@H](O)C(C)C)C)[C@@H](CC)C)=O)C)CC4=CC=CC=C4)=O
Compound: (-)-hazakacin
SMILES: O=C([C@H](O)CC1=CC=CC=C1)CC
Compound: Arromycin
SMILES: O=C1C(=O)C(=C(O)C2=C1C=C(O)C(=C2O)C)CC3=C(CC(C)(C)CC3)C
Compound: 3-hydroxy-5-oxohexanoyl-CoA
SMILES: CC(=O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@H](OC2OC(C(O)C(C2OC3OC(C(O)C(C3O)O)CO)OC4OC(C(O)C(C4O)O)CO)CO)C)[C@H](C1=C)C(=O)O
Compound: 6,8-dihydroxyisocoumarin-3-carboxylic acid
SMILES: O=C1OC(C(=O)O)=CC=2C1=C(O)C=C(O)C2
Compound: methyl-2,3,5-trihydroxytetradecanoate
SMILES: O=C(OC)[C@@H](O)[C@H](O)C[C@@H](O)CCCCCCCCC
Compound: 6'''-dechloro-6'''-bromotiacumicin B
SMILES: BrC1=C(O)C(Cl)=C(O)C(=C1CC)C(=O)O[C@@H]2[C@@H](O)[C@@H](OC)[C@@H](OCC=3C(=O)OC(C(O)C)CC=C(C=C(C(O[C@@H]4OC([C@@H](OC(=O)C(C)C)[C@@H]([C@@H]4O)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)O[C@H]2C
Compound: 6-epi-ophiobolin N
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@@H]([C@H](CCC=C(C)C)C)CC[C@@]3(C2)C)C=O
Compound: Neocitreamicin I
SMILES: O=C1N2C(OC(C2(COC(=O)C(CC(C)C)C)C)=O)(CC=3C1=C(O)C4=C5C(=O)C6=C(OC=7C=CC(=CC7C6=O)O)C(C5=CC=C4C3)=O)C
Compound: (3R),(4S)-4-hydroxylasiodiplodin
SMILES: O=C1O[C@@H]([C@@H](O)CCCCCCC=2C1=C(OC)C=C(O)C2)C
Compound: Pleurospiroketal E
SMILES: O=C1[C@@]2(OC(C1)(C)C)O[C@@H]3[C@@H](O)[C@](O)(C)CCC3=C2C
Compound: Benzopyrenomycin
SMILES: O=C1C2=C(OC)C=CC=C2C=3C(C(=O)OC)=CC4=C5C3C1=CC=C5[C@@H](O)[C@H](C)C4
Compound: Roquefortine I
SMILES: O=C/1N2C(OC)(C(=O)N\C1=C\C=3NC=NC3)C[C@@]4([C@H]2NC=5C=CC=CC45)C(C=C)(C)C
Compound: 13-(propan-2-yloxymethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
SMILES: O=C1N(CC=2C1=C3C(NC4=C3C=CC=C4)=C5NC6=C(C25)C=CC=C6)COC(C)C
Compound: 6,7-dimethoxy-3-methyl-5-(3-methylbut-2-en-1-yl)-1H-isochromene
SMILES: O1C(=CC=2C(=C(OC)C(=CC2C1)OC)CC=C(C)C)C
Compound: Asperolide C
SMILES: O=C1O[C@]2(CC[C@@H]3[C@@]([C@H]2C1)(CCC[C@@]3(C(=O)O)C)C)CO
Compound: Actinosporin C
SMILES: O=C1C2=C(C(=O)C=3C1=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C=CC3)C5=C(O[C@@H]6O[C@H]([C@H](O)[C@H]([C@H]6O)O)C)C=C(C)C=C5C=C2O
Compound: Disorazole-E1
SMILES: O=C1OC(C(C(O)/C=C/C)(C)C)CC=CC2OC2C=CC(OC)CC=3OC=C(N3)C(=O)OC(CC=CC4C(C=CC=CC5=NC1=CO5)O4)C(C(O)/C=C/C)(C)C
Compound: Heterobactin A
SMILES: O=C1N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@H](NC(=O)C2=C(O)C(O)=CC=C2)CCCN=C(NC(=O)C3=C(O)C(O)=CC=C3)N
Compound: Stachybotrichodermone A
SMILES: O=C1C2([C@@]3([C@@H](C=C(C)[C@H](C3)O)O[C@H](C1)[C@@]24OC4)C)C
Compound: (2R,3R)-2-hydroxy-8-O-methyltetrangomycin
SMILES: O=C1C2=C3C(=O)[C@H](O)[C@@](O)(C)CC3=CC=C2C(=O)C4=C1C=CC=C4OC
Compound: (2R)-2-[(2R,3R,4R,5R)-2-amino-4,5-dihydroxy-1-oxo-6-phosphonooxyhexan-3-yl]oxypropanoic acid
SMILES: P(=O)(OC[C@@H](O)[C@@H](O)[C@H](O[C@@H](C(=O)O)C)[C@@H](N)C=O)(O)O
Compound: Dendrodolide I
SMILES: O=C1O[C@@H](CCC[C@H](O)CC=C[C@H](C1)O)C
Compound: Poricoic acid HM
SMILES: O=C(O)C([C@@H]1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)OC)C)CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Compound: Oscillatorin
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(NCC(N[C@H](C(N3C(C(N[C@H]1C(C)C)=O)CC4(C=5C=CC=CC5NC34)CC=C(C)C)=O)CC(C)C)=O)=O)CC6=CC=C(O)C=C6)CCCN=C(N)N)CCC(=O)O)CC(=O)N)CCC2
Compound: Roseoferin F
SMILES: O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(C)C)C(C)C)(C)C
Compound: (24E)-9a,11a-epoxy-3b-hydroxylanosta-7,24-dien-26-al
SMILES: O=C/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=CCC4C([C@@H](O)CC[C@@]4([C@@]35[C@@H](C2)O5)C)(C)C)(C)CC1)C)C)/C
Compound: Pamamycin-621B
SMILES: O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H](C(=O)O[C@H](C[C@H]3O[C@@H]([C@H]1CC)CC3)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)C)C)CC2)C)CCC
Compound: N,N-Diacyltryptamine
SMILES: O=C(N(C(=O)C)CCC=1C2=C(C=CC=C2)NC1)C
Compound: Pestaloxanthone
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)OC)C=C(CO)C=C2O
Compound: Phthoxazolin D
SMILES: O=C(N)C(C(O)/C(=C\C=C\C=C\C(O)C=1OC=NC1)/C)(C)C
Compound: Phellinuin I
SMILES: OC(C=C)(CCC(O)C(O)(CC/C=C(/CO)\C)C)C
Compound: Erythronolide I
SMILES: O=C1O[C@@H]([C@@]2(O[C@]3(O[C@@]([C@H](O)CC)(C)[C@@H]([C@H]3C)O)[C@@H](C2)C)C)[C@@H](C)C=C1C
Compound: Lorneic acid B
SMILES: O=C(O)C/C=C/C1=C(C=C(C)C=C1)[C@@H](O)CCCCC
Compound: Streptonigrone
SMILES: O=C1NC(=C(N)C(=C1C)C2=C(O)C(OC)=C(OC)C=C2)C3=NC=4C(=O)C(N)=C(OC)C(C4C=C3)=O
Compound: Ambruticin VS-3
SMILES: O=C(O)C[C@H]1O[C@@H](/C=C/[C@@H]2[C@@H](/C=C/[C@H](/C=C(/[C@@H]3O[C@@H](C(C)=CC3)CC)\C)C)[C@H]2C)[C@H](O)[C@H](C1)N(C)C
Compound: Lamellicolic anhydride
SMILES: O=C1C2=C3C(=C(OC(=C3C(=O)C=C2C)O)O)C(=C1)O
Compound: (1R,4R,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-4-methoxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@@H](C[C@@]([C@@H](C1)OC)(O)C)C)O)=C)CC4=CC=CC=C4
Compound: Thielocin-B1
SMILES: O=C(OC1=C(C(OC)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC3=C(O)C(=C(O)C(=C3C)C(=O)OC4=C(C(OC)=C(C(=O)OC5=C(C(OC)=C(C(=O)O)C(=C5C)C)C)C(=C4C)C)C)C)C(=C2C)C)C
Compound: 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]acetonitrile
SMILES: N#CCC=1C2=C(C=C(CC=C(C)C)C=C2)NC1
Compound: Aeruginosin 102 A
SMILES: S(=O)(=O)(OC1=CC=C(C[C@@H](O)C(=O)N[C@@H](C(=O)N2C3C(CCC(C3)O)CC2C(=O)N[C@@H]4C(O)N(C(=N)N)CCC4)CC5=CC=C(O)C=C5)C=C1)O
Compound: Pneumocandin D0
SMILES: O=C1N2[C@H](C(=O)N[C@H](O)[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)[C@@H](O)C4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)[C@H](C2)O
Compound: Conidiogenone G
SMILES: O=C1C=C[C@@H](C)[C@@]23[C@@]1(C[C@@H](O)[C@@H]2[C@H]4C(CC[C@]4(C3)C)(C)C)C
Compound: 3-hydroxy-L-proline
SMILES: OC1CCN[C@@H]1C(O)=O
Compound: 1'-[(6-O-Mycoloyl-beta-D-glucopyranosyl)
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(OC2OC(C(O)C(C2O)O)COC(=O)C(C(O)CCCCCCCCCCCCCCCCCCCC(/C=C\CCCCCCCCCCCCCC(=O)O)C)CCCCCCCCCCCCCCCCCCCC)(C)C)\C)\C)\C)/C)/C)C(C)(C)CC1)C
Compound: Pepticinnamin E
SMILES: ClC1=C(O)C(OC)=CC=C1C[C@H](NC)C(=O)N([C@@](C(=O)OC[C@H]2NC(=O)CNC2=O)(C(=O)[C@H](NC(=O)/C=C/C3=C(C=CC=C3)C/C=C/CC)CC4=CC=C(O)C=C4)CC5=CC=CC=C5)C
Compound: (+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
SMILES: O=C1OC(=CC2=C1C=C(O)C(=C2C)C)C[C@H](O)C
Compound: Dykellic acid
SMILES: O=C1O[C@H](C(=C)C=C1CCC(=O)O)/C=C/C=C/C
Compound: Actinofuranone A
SMILES: O=C1C(=C(C[C@H](O)CC/C(=C/C=C/[C@H]([C@@H](O)/C(=C/C)/C)C)/C)OC1(O)C)C
Compound: Meleagrin E
SMILES: O=C1N2/C(/C(=O)N[C@]23N(OC)C=4C=CC=CC4[C@]3(C(C=C)(C)C)C=C1O)=C/C=5N=CN(C5)C(CC(=O)CC(O)(C)C)(C)C
Compound: 2,4-dimethoxy-6-methylbenzene-1,3-diol
SMILES: O(C1=C(O)C(OC)=CC(=C1O)C)C
Compound: 2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
SMILES: O=C1C=C(OC(=C1)C)CO
Compound: Lipoamide A
SMILES: O=C(O)[C@@H](NC(=O)CCCCCCCC(C)C)CC(=O)N
Compound: Rugulin
SMILES: O=C1C2=C(O)C=C(C)C=C2C(=O)[C@@]34C15C(=O)[C@H]6C(OC)C3C7[C@]86C5(C(=O)C9=C(O)C=C(C)C=C9C8=O)C(=O)[C@H]4C7OC
Compound: Trichothecinol A
SMILES: O=C1C(=C[C@H]2O[C@H]3[C@@]4([C@@]([C@]2(C1)C)([C@H](OC(=O)/C=C\C)[C@H]3O)C)OC4)C
Compound: Khatmiamycin
SMILES: O=C1C2=C(C(=O)C=C1C(O)C(O)CC(=O)OC)C(O)=CC=C2
Compound: Foeniculoxin
SMILES: OC1=C(C#CC(=C)CC[C@H](O)C(O)(C)C)C=C(O)C=C1
Compound: EM2487
SMILES: P(=O)(ON(CCCCCCCCCCCC(C)C)C)(O)N(P(=O)(OC1C(OC[C@H]2O[C@@H](N3C(=O)NC(=O)C=C3)[C@@H]([C@@H]2O)O)=C(CO)C(C1O)O)O)CC(=O)N
Compound: Aspernolide D
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(O)(C)C)C(=C1O)C3=CC=C(O)C=C3
Compound: Cyanopeptolin 960
SMILES: S(=O)(=O)(OC[C@@H](OC)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)CCC4=CC=C(O)C=C4)O
Compound: Monomethylsulochrin
SMILES: O=C(OC)C1=C(C(OC)=CC(=C1)O)C(=O)C2=C(OC)C=C(C)C=C2O
Compound: Applanatumol T
SMILES: O=C(O)/C(=C/CC[C@@H](C(=O)O)CC(=O)C1=C(O)C=CC(=C1)O)/C
Compound: (-)-peniphenone A
SMILES: O=C1[C@H]([C@@]2(OC3=C(C(O)=C(C(=O)C)C=C3C)C[C@H]2C)O[C@@H](C1)C)C
Compound: Quinofuracin C
SMILES: O=C1C2=C(O)C(=C(O[C@@H]3O[C@@H]([C@H](O)CO)[C@@H]([C@H]3O)O)C=C2C(=O)C=4C1=C(O)C=C(O)C4)[C@@H](O)CCCCC
Compound: 5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol
SMILES: O1O[C@@]23C=C[C@]14C(CC[C@]5(C4CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@]2(CC[C@@H](C3)O)C
Compound: Ratjadone B
SMILES: O=C1O[C@@H](/C=C/C(=C\[C@@H](C/C=C/C=C/[C@@H](O)[C@H]2O[C@@H](/C=C/C)[C@@H](C)[C@@H](C2)O)C)/C)CC=C1
Compound: Leucopaxillone A
SMILES: O=C1C(C2=CC[C@H]3[C@]4([C@](C([C@@H]([C@H](OC(=O)C)C[C@@H](OC(=O)C)C(O)(C)C)C)CC4)(CO)CC[C@]3([C@@H]2CC1)C)C)(C)C
Compound: Plusbacin A1
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@@H](C(N3[C@H](C(N[C@H]1[C@H](O)C(=O)O)=O)[C@H](O)CC3)=O)CO)=O)[C@@H](O)C(=O)O)=O)CCCN=C(N)N)[C@H](O)CC2)C)[C@H](O)C)CCCCCCCCCCC
Compound: (11)-cytochalasa-13,19-diene-1,21-dione-6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18S*,19E)
SMILES: O=C1C=C[C@](O)(C[C@H](C)CC=C[C@H]2[C@]13C(=O)N[C@@H]([C@H]3[C@@H](C)[C@]4([C@@H]2O4)C)CC5=CC=CC=C5)C
Compound: Torrubiellone B
SMILES: O=C1NC=C(C2(O)CCC(O)CC2)C(=C1C(=O)/C=C/C=C/C=C/[C@H](CO)CC)O
Compound: Desferrioxamine Et2
SMILES: O=C1N(O)CCOCCNC(=O)CCC(=O)N(O)CCCCCNC(CCC(N(CCOCCNC(CC1)=O)O)=O)=O
Compound: Purpuride C
SMILES: O=C1OC=C2C1=CC[C@@H]3[C@@]2([C@@H](OC(=O)[C@@H](NC(=O)C)C(C)C)CCC3(C)C)C
Compound: 1-(1-b-Glucopyranosyl)-1H-indole-3-acetic acid
SMILES: O=C(O)CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO
Compound: 1,2-Dehydrolactarolide A
SMILES: O=C1OC(O)C2=C1C[C@](O)(C3=CC(C[C@H]3[C@@H]2O)(C)C)C
Compound: Blazeispirol C
SMILES: O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)CC4)CC3)C)C
Compound: Chinikomycin A
SMILES: ClC1=C(O)C(NC(=O)/C(=C/C(=C/[C@@H](CCCC)C)/C)/C)=CC(=C1/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)O
Compound: NF00659A3
SMILES: O=C1OC(=C(C)C(=C1CC2C(=C)C(O)CC3C2(CCC4C3(CCC(OC(=O)C)C(O4)(C)C)C)C)O)C
Compound: Hynapene C
SMILES: O=C1C(C=CC2C1C(CC(C2)C)C)(/C=C/C=C/C(=O)O)C
Compound: Lansai B
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C)C[C@H]2C(=O)N5[C@H]1C[C@]6(C=7C=C(C(C=C)(C)C)C=CC7N([C@@H]56)C)C)C
Compound: TMC-120-B
SMILES: O=C1C(OC2=C1C=CC=3C2=CN=C(C3)C)=C(C)C
Compound: (24E)-3,4-seco-cucurbita-4,24-diene-3,26,29-trioic acid
SMILES: O=C(O)/C(=C/1\[C@H]([C@]2([C@H]([C@]3([C@]([C@@H]([C@H](CC/C=C(/C(=O)O)\C)C)CC3)(C)CC2)C)CC1)C)CCC(=O)O)/C
Compound: Pestalachloride B
SMILES: ClC1=C2OCC=3C(O)=CC(=C(C3C(C2=C(O)C(=C1C)Cl)=O)CC=C(C)C)O
Compound: Humula-1(10), 4, 7-trien-6alpha-ol
SMILES: O[C@@H]1C=C(CCC=C(CC=CC1(C)C)C)C
Compound: Fumigatoside C
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](NC([C@@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@@H]4N([C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)[C@@H](C)C6=O)=O)C
Compound: Holyrine B
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4OC(O)([C@H](O)[C@@H](C4)N)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Penicisochroman L
SMILES: O=C(O)C1=C(O)C2=C(C=C(C)OC2)C=C1
Compound: 3-Propionyl-4""-isovaleryltylosin
SMILES: O=C1C=CC(=CC([C@@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC=O)OC2OC(C(OC3OC(C(OC(=O)CC(C)C)C(C3)(O)C)C)C(C2O)N(C)C)C)C)OC(=O)CC)CC)COC4OC(C(O)C(C4OC)OC)C)C
Compound: PC-766b
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C=CC=CC)C(C)C(C2)OC3OC(C(O)C(C3)O)C)O)C)C
Compound: Photinide Y
SMILES: O=C/1C2=C(OC)C=CC=C2O\C1=C(/[C@@H]3OC(=O)C[C@@H]3C)\CO
Compound: Spliceostatin C
SMILES: O=C(N[C@H]1[C@H](O[C@@H](C/C=C(/C=C/[C@H]2O[C@@H](C[C@@]3(C2)OC3)CC(=O)O)\C)[C@H](C1)C)C)/C=C\[C@@H](OC(=O)C)C
Compound: 4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether
SMILES: BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C(Br)=C(C)C(=C1O)Br
Compound: Mniopetal B
SMILES: O=C1O[C@H](O)[C@@H]2[C@]13[C@@H](O)[C@@H](OC(=O)[C@H](O)CCCCCCCC)CC([C@@H]3CC=C2C=O)(C)C
Compound: Viridobrunnine B
SMILES: O=C1C(NC(=O)CO)=CC2=NC=3C=C(COC(=O)C)C=CC3OC2=C1
Compound: Ramariolide C
SMILES: O=C1OC(=C[C@@H](O)CCCCCCCCCC)C=C1
Compound: Xanthoradone A
SMILES: O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C(C4=C(O)C=5C(=O)C=C(OC)C(C5C=C4C)=O)=C(OC)C=C3C2)C
Compound: Terfestatin B
SMILES: O=C(O)C=1O[C@@H](OC2=C(C(O)=C(OC)C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)[C@H](O)[C@H](C1)O
Compound: 23-O-methylantineocyclocitrinol
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C\[C@H](OC)C(O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: 3-[24-(3-amino-3-oxopropyl)-3-benzyl-6,21-di(butan-2-yl)-10,25,28-trimethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-12,27-di(propan-2-yl)-7-oxa-1,4,10,13,19,22,25,28,31-nonazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]propanoic acid
SMILES: O=C1OC(C(=O)NC(C(=O)N2C(C(=O)NCC(=O)N(C(C(=O)N(C(C(NC(C(N3C(C(NC(C(N(C1CCC(=O)O)C)=O)C(C)C)=O)CCC3)=O)C(CC)C)=O)CCC(=O)N)C)C(C)C)C)CCC2)CC4=CC=CC=C4)C(CC)C
Compound: Mangicol D
SMILES: O[C@]([C@@H](O)[C@@H](O)C[C@@]1([C@@H]2[C@](C=C3[C@@H](C)CC[C@@]43[C@H]2CC[C@@H]4C)(C)CC1)C)(CO)C
Compound: Pamamycin-607
SMILES: O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@H](C(=O)O[C@H](C[C@H]3O[C@@H]([C@@H]1C)CC3)CCC)C)CC2)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)C
Compound: Malyngamide U
SMILES: O=C1C(=CC[C@@H]([C@H]1[C@H](OC)CNC(=O)CC/C=C/C[C@@H](OC)CCCCC)O)C
Compound: Violaceoid A
SMILES: OC1=C(C(=C(O)C=C1)CO)/C=C/CCCCC
Compound: Vaccinol D
SMILES: O1[C@@H]([C@H](O)C)C[C@@H](O)C=2C(C1)=C(O)C=CC2CC=C(C)C
Compound: Ammocidin C
SMILES: O=C1OC(C(C2(OC(C(OC3OC(C(O)C(C3)(O)C)C)(C)C(C2OC)O)CCCOC)O)C)CC(CC=C(C=C(C=C(C(C(C=C(C=C(C=C1C)OC)C)C)OC4OC(C(O)C(C4O)O)C)C)C)C)C
Compound: Grifolinone A
SMILES: O=C(C=C(C)C)C/C(=C/CC/C(=C/CC1=C(O)C=C(C)C=C1O)/C)/C
Compound: Echinodol
SMILES: O=C(O[C@H]1[C@@H](O[C@@H]2C[C@@]3([C@@]([C@H]2[C@@H]1C)(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C=C(C)C)C
Compound: Aspertetranone A
SMILES: O=C1OC(=C(C)C2=C1C(=O)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C
Compound: Bendigole C
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H]([C@@H](C(O)CC(=O)O)C)CC4)(C)[C@H](C3)O)CC2)(C)C=C1
Compound: Isoaurasperone F
SMILES: O=C1C=2C(OC(=C1)C)=C(C3=C(OC)C4=C(O)C5=C(OC(O)(C)CC5=O)C=C4C=C3O)C6=CC(OC)=CC(=C6C2O)OC
Compound: Zeorinin
SMILES: O[C@@H]1[C@@H]2[C@@]([C@H]3CC[C@H]4[C@]([C@@]3(C1)C)(CCC=5[C@@]4(CCC5C(C)C)C)C)(CCCC2(C)C)C
Compound: 17-hydroxycyclooctatin
SMILES: O[C@@]1([C@H]2[C@@H]([C@H](CO)C[C@H]2O)C[C@]3(CC[C@@H](C3=CC1)[C@@H](CO)C)C)C
Compound: F-16438 E
SMILES: O=C(O)C1=C(O)C=CC=C1CC(=O)CCCCCCCCCCCCCCCC(OC(=O)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC([C@@H](O)C(C2OC(=O)C)O)CO)CO)C
Compound: GDGT0
SMILES: CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCC1
Compound: Actinopolymorphol B
SMILES: O=C([C@@H](O)CC=1C2=C(C=CC=C2)NC1)C
Compound: Tetrodecamycin
SMILES: O=C1C=2C(=O)OC(C2O[C@H]3[C@H]([C@@]1([C@H]4[C@](O)([C@@H]3O)CCCC4)C)C)=C
Compound: 13-Hydroxy-5-desoxyilludosin
SMILES: O=C/C(=C/1\[C@@]([C@@H]2[C@@H](O)CC(C2)(C)C)(CC1)C)/CO
Compound: Martinomycin
SMILES: O=C(O)[C@@H]([C@]1(O[C@H]([C@@](OC)(C)[C@H]([C@@H]1C)OC)C[C@H]2O[C@]3(O[C@@]([C@@H]4O[C@H]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@H](C)[C@H]([C@@H]6C)O[C@@H]7O[C@@H]([C@@H](OC)CC7)C)C)CC5)CC4)(C)[C@@H]([C@H]3C)OC)[C@H](C)[C@@H](C2)OC)O)C
Compound: 4-O-(beta-D-Glucopyranosyl)-D-ribitol
SMILES: O1[C@@H](O[C@@H]([C@@H](O)[C@@H](O)CO)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Trioxacarcin D
SMILES: O=C1C2=C(O)C3=C4O[C@@]5(OC6OC(C(O)(C(=O)C)C(C6)O)C)[C@]7(OC7)[C@@]8(C(OC)OC)O[C@@H](C4=C(C)C=C3C(=C2[C@@H](OC9OC(C(O)C(C9)(O)C)C)C[C@@H]1O)OC)[C@@H]5O8
Compound: Cyanogriside E
SMILES: O1[C@H](OC2=CC(=NC(=C2)/C=N\O)C3=NC=CC=C3)[C@H](O)[C@@H](O)[C@@H]([C@H]1C)O
Compound: Helotialin C
SMILES: O=C1C(=C2C(=COC(=C2)C)[C@H]([C@]1(O)C)CC(=O)CCCCCCCCC)C(=O)O
Compound: Banyaside A
SMILES: S(=O)(=O)(OCC(OC)C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)NCCC2=CCN(C2)C(=N)N)[C@@H]3NC(=O)O[C@@]34C[C@@H](C[C@@H]1[C@@H]4O)O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5OC(=O)CCCCC)OC(=O)N)CO)CC(C)C)O
Compound: Chrestoxanthone C
SMILES: O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@H](O)CC[C@@H]6O)OC5C(=C4CCC3C2)OC)C
Compound: Steffimycin C
SMILES: O=C1C2=C(O)C3=C(C(O)(O)[C@](O)(C)[C@H]([C@@H]3O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@H]4OC)O)C)OC)C(=C2C(=O)C=5C1=C(O)C=C(OC)C5)O
Compound: Cycloaspeptide G
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@@H](CC(C)C)C(N([C@H](C(NC2=C1C=CC=C2)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=C(O)C=C4)C)C
Compound: Aspergilloxide
SMILES: O1[C@]2(CC[C@@H]3[C@@]4([C@H]([C@]5(C([C@H](C(C)C)CC5)=CC4)C)C[C@@H]([C@]3([C@@H]([C@@H]12)O)C)O)C)C
Compound: Applanoxidic acid H
SMILES: O=C1C=C(C(O)(CC(=O)CC(C(=O)O)C)C)[C@@]2([C@@]1([C@@]34O[C@@H]3C[C@@H]5[C@@](C4=C[C@@H]2O)(CC[C@@H](C5(C)C)O)C)C)C
Compound: Paraherquamide
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(CC[C@]7(O)C)C3)C
Compound: SB-217452
SMILES: S1[C@@H](N2C(=O)N(C(=NC(=O)N)C=C2)C)[C@H](O)[C@H]([C@@H]1[C@@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)O)O
Compound: Guaioxide
SMILES: O1C23[C@@H]([C@H](CCC(C1(C)C)C2)C)CC[C@@H]3C
Compound: Funatrol A
SMILES: O1[C@]2([C@@H]([C@@]3([C@H](C([C@@H](O)CC3)(C)C)CC2)C)CO)C1
Compound: methyl 3-p-anisoloxypropionate
SMILES: O=C(OC)CCOC1=CC=C(OC)C=C1
Compound: Cladobotric acid D
SMILES: O=C(O)/C=C/C=C/C=C/[C@@H]1[C@@](O)(C(=C[C@H]2[C@H]1CC=C(C2)C=O)C)[C@]3(O[C@@H]3[C@@H](CC)C)C
Compound: Phenalamide C
SMILES: O=C(N[C@H](CO)C)/C(=C/C=C/C=C/C=C/C1(OC1[C@H]([C@@H](O)/C(=C/[C@H](CCC2=CC=CC=C2)C)/C)C)C)/C
Compound: Methylphelligrin B
SMILES: O=C1C2=C(O[C@H](C1)C3=CC=C(O)C=C3)C(=C(OC)C=C2O)CC4=C(O)C=CC=C4
Compound: Drimentine H
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C[C@H]5C(=C)CC[C@@H]6[C@@]5(CCCC6(C)C)C)C[C@H]2C(=O)N([C@H]1C(C)C)C)C=O
Compound: Trichoverrol B
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)C24OC4)CO)C)\C=C/C=C/[C@H](O)[C@H](O)C
Compound: Aigialomycin B
SMILES: O=C1O[C@H](CC=C[C@H](O)[C@@H](O)[C@H](C[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)O)C
Compound: Parvisporin
SMILES: O=CC1=C(O)C(=C(O)C=C1CO)C/C=C(/CC/C=C(/CCCC(O)(C)C)\C)\C
Compound: Saccharosacrin D
SMILES: O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)OC%10OC(C(O)CC%10)C)C)CC7)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CC
Compound: 22'-Deoxythiocoraline
SMILES: S1SC[C@@H]2N(C(=O)CNC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)C=C3)CSC([C@@H](N(C([C@H](C1)N(C(=O)CNC(=O)[C@H](NC(=O)C5=NC=6C(=CC=CC6)C=C5O)CSC(C(N(C2=O)C)CSC)=O)C)=O)C)CSC)=O)C
Compound: Dechlorogreensporone D
SMILES: O=C1O[C@H](CC[C@@H](O)CCC=CC(CC=2C1=C(OC)C=C(O)C2)=O)C
Compound: Crocadepsin A
SMILES: ClC1=C(OC)C=CC(=C1)[C@H]2OC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](CCNC([C@@H](NC([C@H]([C@@H]([C@H]2NC(=O)/C(/NC(=O)/C=C/C3=CC=CC=C3)=C/C)O)C)=O)[C@@H](O)C(=O)N)=O)C)CC(=O)O
Compound: F-10748 B1
SMILES: O=C(OC1C(O)C2(OC(C1OC3OC(C(O)C(C3O)O)COC(=O)CCC)CO)OCC=4C2=C(O)C=C(O)C4)/C=C/C=C/CC(O)C(CCC/C=C/C(CC)C)C
Compound: (Mser7)microcystin-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(C1CO)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: 2-acetyl-4,6-dimethoxybenzoic acid
SMILES: O=C(O)C1=C(OC)C=C(OC)C=C1C(=O)C
Compound: 2,10-dimethyl 4-hydroxy-6-oxo-4-undecen-7-yne
SMILES: O=C(C#CCC(C)C)/C=C(\O)/CC(C)C
Compound: SCH 60063
SMILES: O1[C@@H](OC/C=C(/CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)\C)\C)\C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: FR-900520
SMILES: O=C1N2[C@H](C(=O)O[C@H](/C(=C/[C@H]3CC(OC)[C@H](O)CC3)/C)[C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C[C@@H](C[C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](C[C@@H]4OC)C)OC)C)C)C)CCCC2
Compound: Memnoconone
SMILES: O=C1OCC2=C1C=C(O)C(=C2O)C/C=C(/CC/C=C(/CCC(=O)C(C)C)\C)\C
Compound: 3alpha-acetoxy-24-methylene 23-oxylanost-8-en-26-oic ester
SMILES: O=C(OC)C(C(C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)=C)C
Compound: Indosespene
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC([C@@H]2CC=3C4=C(C=CC=C4)NC3)=C)C)C
Compound: Streptazone D
SMILES: O=C1C=C(NCC1)/C=C/C=C/C
Compound: Redoxcitrinin
SMILES: O=C([C@H](C1=C(C(O)=C(C)C(=C1C)O)C=O)C)C
Compound: 3-hydroxybutyric acid
SMILES: CC(O)CC(O)=O
Compound: Xentrivalpeptide K
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C(C)C)=O)CC(C)C)C
Compound: WS 79089B
SMILES: O=C1C2=C(OC)C3=C(C4=C(O)C(=C(CC(O)C)C=C4CC3O)C(=O)O)C(=C2C(=O)C=5C1=C(O)C=CC5)O
Compound: (5S,S)-5-methyl-3-(2-methylbutyl)furan-2(5H)-one
SMILES: O=C1O[C@@H](C)C=C1C[C@H](CC)C
Compound: ECO-02301
SMILES: O=C1C(NC(=O)/C=C/C=C/C=C/C=C/CC/C=C/[C@H](C(O)[C@H](C(O)/C=C/C=C/C=C/C=C/C=C/CC(OC2OC(C(O)C(C2O)O)C)C(C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN)C)C)C)=C(O)CC1
Compound: Iromycin D
SMILES: O=C1NC(=C(CCC)C(=C1C)O)C/C=C(/C/C=C/[C@@H](O)C)\C
Compound: Rhizobialide
SMILES: O=C1O[C@@H](CCCCCCCC(=O)CCCCCC)CC1
Compound: Sporulene C
SMILES: C1(=CC=C(C)C=C1)[C@@H](CC[C@@H]2[C@@]3([C@@H](C=CC2C)[C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)C)C
Compound: Nai414-A
SMILES: ClC=1NC(C(=O)N[C@H]2[C@H](O)C[C@H](O[C@@H]3[C@H]4C=C[C@H]5CCCCC=C[C@@]6([C@]7(C(C(=C([C@]5([C@H]4CC[C@@H]3C)CC)O)C(=O)O7)=O)C[C@H](CC)C(=C6)C(=O)O)C)O[C@@H]2C)=C(C1)Cl
Compound: Saccharosporone B
SMILES: O=C1C2=C(C(=O)C3=C1[C@H]4[C@](O)(C[C@H](C)C[C@H]4O)[C@H](C3)O)C(O)=CC=C2
Compound: 4-quinolylaldoxime
SMILES: O/N=C\C=1C=2C(N=CC1)=CC=CC2
Compound: (E,E)-6-carbonyl-7-hydroxy-2,4-octadienoic acid 6-strobilactone-B ester
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(=O)C(O)C)C
Compound: Rufoolivacin B
SMILES: O=C1C=2C(=C(O)C3=C(OC)C=C(C=C3C2C=4C=5C(C(O)=C(C4C)C(=O)C)=C(OC)C=C(C5)OC)OC)C(=O)C=C1CO
Compound: Phellinusfuran A
SMILES: O=C1/C(=C\C=2OC(CO)=CC2)/[C@H](C(O)CO)O[C@@H]1OC
Compound: Demethylblasticidin S
SMILES: O=C1N=C(N)C=CN1[C@@H]2O[C@H](C(=O)O)[C@@H](NC(=O)C[C@@H](N)CCN=C(N)N)C=C2
Compound: Obelmycin H
SMILES: O=C1C2=C(O)C3=C(C(O)CC(C3O[C@H]4O[C@@H]([C@H](O)[C@@H](C4)N(C)C)C)(O)CC)C(=C2C(=O)C5=C1C(O)=CC=C5O)O
Compound: Spirocardin B
SMILES: O=C1C2(C(=CCCC2C(CC(O)C3(OC3)C(O)CO)(C)C(C1O)C)C)C
Compound: Geumsanol C
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(O)C)O)/C=C/[C@](O)([C@@H](O)[C@@H](CC)C)C
Compound: Cyclo(L-Leu-L-Trp)
SMILES: O=C1NC(C(=O)NC1CC=2C3=C(C=CC=C3)NC2)CC(C)C
Compound: (3S,4S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-[(3S,4S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
SMILES: O1C(OC=2C=C(OC)C3=C(O)C=4CO[C@H]([C@H](C4C(=C3C2)C=5C=6C(C(O)=C7C5[C@H](O)[C@H](C)OC7)=C(OC)C=C(C6)OC8OC(C(OC)C(C8O)O)CO)O)C)C(O)C(O)C(C1CO)OC
Compound: N-Acetyl-4-nitrotryptophan
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H](NC(=O)C)C(=O)O)=CC=C1
Compound: Allocyathin-B3
SMILES: O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2=C(C=C3)C(C)C)C)C)CO
Compound: Scytalol B
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)C3C1CO[C@@](C3)(OC)C
Compound: 17-epi-notoamide Q
SMILES: O=C1N[C@H](C(=O)N2[C@]1(OC)CCC2)C[C@]3(C(=O)NC4=C3C=CC5=C4C=CC(O5)(C)C)C(C=C)(C)C
Compound: Albogrisin A
SMILES: O=C1N(C=2C(=NC3=CC=CC=C3C2C=C1NC)C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)C
Compound: Chloropestolide G
SMILES: ClC=1C(=O)[C@]2(OC(=O)C=3C(O)=CC(=CC3O2)C)[C@]4(C(=O)CO)CC(C)=C[C@H]5[C@@H]4C1O[C@@H]6C5=C[C@H](O)[C@H]7[C@@]6(O7)CC=C(C)C
Compound: Sartorypyrone B
SMILES: O=C1C2=C(OC(=C1)C)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(C[C@H](OC(=O)C)[C@@H](C5(C)C)OC(=O)C)C)C)C
Compound: Oxisterigmatocystin C
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3)C4=C(O[C@@H]5[C@H]4C[C@H](OC)O5)C=C2OC
Compound: Paeciloquinone B
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C(=O)O)CCC(=O)C
Compound: (1RS,6SR,10SR)-6,10-dimethylbicyclo[4.4.0]decan-3-one
SMILES: O=C1C[C@@H]2[C@@](CCC[C@H]2C)(C)CC1
Compound: Pelopuradazole
SMILES: O=C1NCN=C1C
Compound: 5,7-Dihydroxychromone
SMILES: Oc1cc(O)c2c(c1)occc2=O
Compound: 3-hydroxyhexanoate
SMILES: CCCC(O)CC([O-])=O
Compound: ethyl lucidenate F
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)[C@@H](CCC(=O)OCC)C)C
Compound: 10t024a
SMILES: O=C(O)C1=C2NC3=C(C=CC=C3)N(C2=CC=C1)CC(=O)O
Compound: Putaminoxin C
SMILES: O=C1C(=C[C@H](O)C(=O)CCCC1)CCC
Compound: Ficifuranone A
SMILES: O=C1OCC(=C1C)CCCC(=O)O
Compound: Chetracin C
SMILES: S1S[C@@]2(N(C)C([C@]3(S1)N([C@H]4NC=5C=CC=CC5C4([C@@H]3O)[C@@]67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@@]%10(SSS[C@@]9([C@H]7O)C(=O)N%10C)CO)C2=O)=O)CO
Compound: (+)-oxanthromicin
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)C
Compound: (22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3beta,28alpha-diol
SMILES: O1[C@@H](O)[C@H](C(C)C)C[C@H]1[C@H]([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: GE81112
SMILES: ClC=1NC(C(O)C(NC(=O)C(NC(=O)C(NC(=O)C2NCCCC2O)CC(O)COC(=O)N)CC=3NC(N)=NC3)C(=O)O)=NC1
Compound: Astraeusin K epimer
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H]5O[C@H](O)[C@H](C)CC5)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Cryptophycin-38
SMILES: ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H]([C@@H]3O[C@H]3C4=CC=CC=C4)C
Compound: CJ-13,536
SMILES: S(CN1C2=C(C(=O)C(=C1C/C=C(/CCC=C(C)C)\C)C)C=CC=C2)C
Compound: NK374200
SMILES: O=C(O)[C@@H](NC(=O)[C@H](N)C)CCN1C2=NC=NC(=C2N=C1)N
Compound: 23-Dihydroxy-2-(1-hydroxytridecyl)-4-met
SMILES: O=C1[C@@](O)([C@H](O)C(C1)OC)C(O)CCCCCCCCCCCC
Compound: Insuetolide C
SMILES: O=C1OC([C@@H]2CC[C@@]34[C@H]([C@]2(C=C1)C)CC5(C(=O)[C@@](C3)(C=C6C5(O4)COC6=O)C)C)(C)C
Compound: Tetrapetalone B
SMILES: O=C1C=C2N3C(=O)C(C)=C([C@@]3(C=C([C@H]4[C@]2(O)C(=C1)[C@@H](O[C@@H]5O[C@@H]([C@H](O)CC5)C)[C@@H]4C)C)C(OC(=O)C)C)O
Compound: Brevianamide A
SMILES: O=C1N2C3(C(=O)NC14C(C(C)(C)C5(C4)NC=6C=CC=CC6C5=O)C3)CCC2
Compound: Microcyclamide GL614A
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC5N(C(=O)NC5=O)C
Compound: Feigrisolide B
SMILES: O=C(O)[C@@H](C1OC(C[C@H](O)CC)CC1)C
Compound: Pitipeptolide C
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(NCC(O[C@H](C1(C)C)CCCCC)=O)=O)[C@H](CC)C)=O)[C@H](CC)C)CC3=CC=CC=C3)C)C(C)C
Compound: 1-deoxyviridiol
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@]4(C[C@H](OC)[C@@H](C=5C4=C1OC5)O)C
Compound: Takinolide dimer
SMILES: O=C1O[C@](CCCC(=O)O[C@](CCC1)(CO)CCCCCCCCCCC)(CO)CCCCCCCCCCC
Compound: Pezizolide D
SMILES: O=C1OCC(=C1/C=C\C)CC[C@]2(OC(=O)[C@@H](C2)O)C
Compound: (6R)-6-hydroxy-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),9,14(19),15,17-hexaen-4-one
SMILES: O=C1C2=C3C(OC4OC3C5=C4C(OC)=CC=C5)=CC=C2C[C@](C1)(O)C
Compound: 1-[2'-hydroxy-3'-methoxy-5'-(hydroxy-methyl)phenyl]-3-methyl-but-2-ene
SMILES: O(C1=C(O)C(=CC(=C1)CO)CC=C(C)C)C
Compound: 5-hydroxyl-6-O-methylasperentin
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C(OC)C2O)C[C@@H]3O[C@H](CCC3)C
Compound: Pyrenulic acid C
SMILES: O=C(O)/C=C/C=C/[C@@H]1O[C@@H]2[C@@](OCC[C@@H]2C)(C)[C@@H]3[C@@]([C@H]1O)(O)[C@@H]4[C@H](CC(C)=CC4)C=C3C
Compound: 7-Hydroxy-10-dehydroxydehydrodihydrobotr
SMILES: O1CC2=C(C=CC3=C2[C@@](C1)([C@H](O)C3(C)C)C)C
Compound: Streptomonomicin
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(=O)NCC(=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(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)O)CCC4)CC5=CC=C(O)C=C5)[C@H](CC)C)C(C)C)[C@H](CC)C)CC(C)C)C)CCC3)CC6=CC=C(O)C=C6)CC(C)C)[C@H](CC)C)CC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]1CO)=O)CO)=O)=O)CC(C)C)=O)CO)CC(=O)N)CC7=CC=C(O)C=C7)CCC2
Compound: Petrobactin disulfonate
SMILES: S(=O)(=O)(O)C1=C(O)C(O)=CC=C1C(=O)NCCCNCCCNC(=O)C[C@](O)(C(=O)O)CC(=O)NCCCCNCCCNC(=O)C2=C(S(=O)(=O)O)C(O)=C(O)C=C2
Compound: Pestalol E
SMILES: S(=O)(=O)(O[C@H](CC=CC1=C(C(O)=CC=C1)C=O)CC)O
Compound: Roridin M
SMILES: O=C1OCC23C4(C5(OC5)C(OC2C=C(C)CC3)C(C4OC(=O)C=CC=CC6OC(CC(=C1)C)OC6C)O)C
Compound: Butyrolactone I 4''-sulfate
SMILES: S(=O)(=O)(OC1=C(C=C(C[C@]2(OC(=O)C(=C2C3=CC=C(O)C=C3)O)C(=O)OC)C=C1)CC=C(C)C)O
Compound: Arthpyrone A
SMILES: O=C1N(O)C=C2[C@]3(O)[C@@H](O)[C@@H](OC2=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)[C@@H](O)CC3
Compound: Thelephantin O
SMILES: O=C(OC1=C(OC(=O)CC2=CC=CC=C2)C(=C(O)C(=C1C3=CC=C(O)C=C3)O)C4=CC=C(O)C=C4)C5=CC=CC=C5
Compound: Himeic acid B
SMILES: O=C1C(C(=O)N)=COC(=C1)/C=C/CCCCCCCCC(=O)O
Compound: Trichokonin-VII
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(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)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Marinopyrazinone A
SMILES: O=C1NC(=C(C)N=C1CC2=CC=CC=C2)CCCCCC(C)C
Compound: Homotemsirolimus C
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(=O)C(CO)(CO)C)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)C)C)CC)CCCC2
Compound: Citridone B
SMILES: O=C1C(C2=CC=CC=C2)=CNC3=C1[C@@]4([C@H](O[C@]([C@@H]4O3)(C(O)C)C)O)C
Compound: Scyphostatin
SMILES: O=C1C=C[C@H]2[C@@H]([C@@]1(O)C[C@H](NC(=O)/C=C/C=C/C=C/C(CC(C/C(=C/C(CC)C)/C)C)C)CO)O2
Compound: Fern-9(11)-en-3,19-dione
SMILES: O=C1C([C@H]2[C@](C3=CC[C@]4([C@@H]5C(=O)C[C@@H]([C@@]5(C)CC[C@@]4([C@H]3CC2)C)C(C)C)C)(C)CC1)(C)C
Compound: Ribisin C
SMILES: O=C1C=2C3=C(C=CC=C3)OC2[C@@H](O)[C@@H]([C@H]1OC)OC
Compound: Palisol
SMILES: BrCC(O)/C(=C\CC1C(=C)CC=CC1(C)C)/C
Compound: 2-bromo-5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
SMILES: BrC=1C(=O)C2=NC3=C(C=CC=C3)N(C2=CC1)CC4=C(CC(C)(C)CC4)C
Compound: 5-hydroxy-7-methoxy-4′-O-(3-methylbut-2-enyl) isoflavone
SMILES: O=C1C2=C(OC=C1C3=CC=C(OCC=C(C)C)C=C3)C=C(OC)C=C2O
Compound: 4-chloro-6-methoxymellein
SMILES: Cl[C@H]1C2=C(C(=O)O[C@H]1C)C(O)=CC(=C2)OC
Compound: Palmarumycin B3
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14[C@@]56O[C@@]5([C@@H](O)C=C[C@H]6O)[C@@H](O)[C@@H]([C@H]4O)O
Compound: Karnamicin C2
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)CCC[C@@H](CO)C
Compound: Mariline A2
SMILES: O=C1N(C2=C(OCC=C(C)C)C=C(OC)C=C2)[C@@H](C)C=3C1=C(OC)C(=C(OC/C=C(/CCC=C(C)C)\C)C3)C
Compound: 1,7-dihydroxy-3-methylxanthone
SMILES: O=C1C2=C(OC3=C1C=C(O)C=C3)C=C(C)C=C2O
Compound: Thailandolide B
SMILES: O=C1O[C@@H]([C@H](OC(=O)C)C=2C1=C(O)C=C3O[C@]4([C@@H](O)C[C@@H]5[C@@]([C@H]4CC23)(CCC(C5(C)C)=O)C)C)C
Compound: Sulfobacin A
SMILES: S(=O)(=O)(O)C[C@H](NC(=O)C[C@H](O)CCCCCCCCCCCC(C)C)[C@H](O)CCCCCCCCCCCC(C)C
Compound: Epoxyroubetaoedione
SMILES: O=C1C2=C(C(O)=CC(=C2)OC)[C@@H](O)[C@@]34[C@@]1(OC(=CC3=O)C)O4
Compound: Quinolactacin C
SMILES: O=C1C2=C(N(C)C3=C1C(=O)NC3(O)C(CC)C)C=CC=C2
Compound: (3S,7R)-15,18-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3O)C4=C(O[C@@H]5[C@H]4C=CO5)C=C2OC
Compound: Chaetone C
SMILES: O=C1C2=C(OCC=3C1=C(O)C=C(C)C3)C(OC)=C(O)C=C2OC
Compound: 29-Hydroxydehydropachymic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H]([C@]([C@@H](OC(=O)C)CC4)(CO)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Compound: 3-O-(6-O-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl-1,4-dimethoxyxanthone
SMILES: O=C1C2=C(OC3=C1C=CC=C3)C(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO[C@@H]5OC[C@H](O)[C@@H]([C@H]5O)O)C=C2OC
Compound: Dichlorodiaportin
SMILES: ClC(Cl)[C@H](O)CC=1OC(=O)C=2C(O)=CC(=CC2C1)OC
Compound: Juglomycin C
SMILES: O=C1C2=C(C(=O)C=C1C[C@H](O)CC(=O)O)C(O)=CC=C2
Compound: Spirangien H
SMILES: O=C(O)C[C@H](O)/C=C\C=C\C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/C)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Compound: Erinacerin S
SMILES: O=C1NC(=O)C=2C1=C(O)C(=C(O)C2)C/C=C(/CC/C=C(/C(=O)O)\C)\C
Compound: Astraeusin H
SMILES: O=C(O)/C(=C/C[C@H](O)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)/C
Compound: Acetyl botryenaloate
SMILES: O=C(O)[C@@]1(C2=C(C=O)[C@@H](C[C@@H]([C@H]2C(C1)(C)C)OC(=O)C)C)C
Compound: Cyclo(D)-Pro-(D)-Phe
SMILES: O=C1N2[C@@H](C(=O)N[C@@H]1CC3=CC=CC=C3)CCC2
Compound: Rotalin B
SMILES: Br[C@@H]1C([C@H]2[C@](OC(C=C)(CC[C@H]3[C@](CC2)(O3)C)C)(C)CC1)(C)C
Compound: 6-(2,4-dihydroxyl-5-methylphenyl)-6-oxohexanoic acid
SMILES: O=C(O)CCCCC(=O)C1=C(O)C=C(O)C(=C1)C
Compound: Cyanolide A
SMILES: O=C1O[C@@H](C[C@H]2O[C@H](C(C)(C)[C@H](C2)O[C@@H]3OC[C@@H](OC)[C@@H]([C@H]3OC)OC)CC(=O)O[C@@H](C[C@H]4O[C@@H](C1)C([C@@H](O[C@@H]5OC[C@@H](OC)[C@@H]([C@H]5OC)OC)C4)(C)C)CC)CC
Compound: Concentricol C
SMILES: O=C(OC/C(=C/CC[C@](O)([C@@H](O)CC/C(=C/CC/C=C(/CC[C@H](O)[C@@](O)(CC/C=C(/CO)\C)C)\C)/C)C)/C)C
Compound: Asperdiazapinone B
SMILES: O=C1N2[C@@H]3NC=4C=C(O)C=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)NC5=C1C=CC=C5
Compound: (1'S,5'S,6'S)-5',6'-dihydroxy-2',6'-dimethyl-3'-(2''-oxopentyl)cyclohex-2'-en-1'-yl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C(O[C@H]1C(=C(C[C@@H]([C@@]1(O)C)O)CC(=O)CCC)C)C2=C(O)C=C(O)C=C2C
Compound: Ascotrichic acid
SMILES: O=C(O)C(=CCCC(O)([C@H]1[C@@H]([C@@](O)(C)CC1)C)C)C
Compound: Dihydroxysabinane
SMILES: O[C@]1([C@@H]([C@](C(C)C)(C)[C@@H](C1)O)C)C
Compound: Phomalairdenol C
SMILES: O[C@H]1C=C[C@@]23[C@@]1(C[C@](CO)(C)[C@@H]2CC[C@H]3C)C
Compound: 5-iminoaranciamycin
SMILES: O=C1C2=C(C(O)=C3[C@@H](O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4OC)O)C)[C@H](OC)[C@@](C(C3=C2)=O)(O)C)C(=N)C5=C1C=CC=C5O
Compound: Chaetone E
SMILES: O=C1C2=C(OCC=3C1=C(O)C=C(CO)C3)C(OC)=CC=C2OC
Compound: (3aR,8aR)-3a-acetoxyl-1,2,3,3a,8,8a-hexahydropyrrolo-[2,3-b]indol
SMILES: O=C(O[C@]12C3=C(C=CC=C3)N[C@H]1NCC2)C
Compound: Bhimamycin B
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C=3C1=C(OC3C(=O)C)C
Compound: Fusoxysporone
SMILES: O=C1C(=C[C@@H]2[C@@H](C(C)C)CCC(C3[C@@]2(C1)C(CC3)C)=C)C
Compound: (+)-daeschol A
SMILES: O=C1C2=C(O)C=CC=C2[C@]34C=5C=6C(C(O)=CC5)=C(O)C=CC6[C@@]74[C@H]([C@@H]1C3=O)CC(=O)C8=C7C=CC=C8O
Compound: Inonotusol G
SMILES: O=C(C(=C)C)CC(O)C([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C
Compound: Emerixanthone B
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)C[C@H](O)C(=C)C
Compound: Neorustmicin A
SMILES: O=C1O[C@H](C(=CC(=C)C[C@H](C)C=C(C[C@](C([C@H]1C)=O)(O)CO)C)C)CC
Compound: Benzomalvin A
SMILES: O=C1N([C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=CC=C4)=O)CC5=CC=CC=C5)C
Compound: 6,8a-Seco-6,8a-deoxy-2,5-didehydroaverme
SMILES: O=C1OC2CC3(OC(C(C)C(C3)O)C(CC)C)OC(C2)CC=C(C(OC4OC(C(OC5OC(C(O)C(C5)OC)C)C(C4)OC)C)C(C=CC=C(C6=C1C=C(C)C(=C6)O)C)C)C
Compound: (+)-(4R,8R)-foedanolide
SMILES: O=C1C(=C(C)[C@@]2([C@H]1CCCC)OC(=O)CC2)C
Compound: TMC-120-C
SMILES: O=C1C2=C(C=3C(=CC(C)=NC3)C=C2)O[C@]1(O)C(C)C
Compound: Ganoleuconin C
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3([C@H]1OC(=O)C)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC([C@]4(CO)C)=O)C
Compound: Umbilicaxanthoside B
SMILES: O=C1C2=C(OC3=C1C(=C(O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)CO)C=C3O)CC=C(C)C)C(OC)=CC(=C2O)CC=C(C)C