MonarchInit/C3PO huggingface dataset:
Compound: Marianin B
SMILES: CC(C)=CCOc1cc(C)c(C(=O)CC(C)(C)C=C)c(O)c1
Compound: penipanoid A
SMILES: OC(=O)c1ccccc1-n1ncnc1Cc1ccc(O)cc1
Compound: penipanoid B
SMILES: Oc1ccc(cc1)[C@@H]1N=CN2[C@H]1NC(=O)c1ccccc21
Compound: penipanoid C
SMILES: Oc1ccc(cc1)C(=O)c1nc2ccccc2c(=O)[nH]1
Compound: 2-(4-hydroxybenzyl)quinazolin-4(3H)-one
SMILES: Oc1ccc(Cc2nc3ccccc3c(=O)[nH]2)cc1
Compound: Metachromin U
SMILES: COc1cc(O)cc2C=CC(C)(CCC3C(=C)CCCC3(C)C)Oc12
Compound: Metachromin V
SMILES: C\C(CCC1C(=C)CCCC1(C)C)=C/Cc1cc(O)ccc1O
Compound: Metachromin W
SMILES: COC1=CC(=O)c2cc(CCC3C(=C)CCCC3(C)C)ccc2C1=O
Compound: Nobilisitine A
SMILES: [H][C@@]12CCN(C)[C@]1([H])[C@@]1([H])c3cc4OCOc4cc3C(=O)O[C@@]1([H])[C@H](O)C2
Compound: JBIR-96
SMILES: [H][C@@]1(NC(=O)[C@@H](NC(=O)[C@@H](CS(O)(=O)=O)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)OC(=O)CCNC1=O)[C@H](C)O
Compound: arthrobotrisin A
SMILES: [H][C@@]12O[C@]1([C@@H](O)\C=C(/C)C[C@@H](O)\C=C(/C)CCC=C(C)C)[C@@H](O)C=C(CO)[C@H]2O
Compound: arthrobotrisin B
SMILES: [H][C@@]12O[C@]1([C@@H](O)\C=C(/C)[C@@H](O)C\C=C(/C)CCC=C(C)C)[C@@H](O)C=C(CO)[C@H]2O
Compound: arthrobotrisin C
SMILES: [H][C@@]12O[C@]1([C@@H](O)\C=C(/C)[C@@H](O)C\C=C(/C)CCC=C(C)C)[C@@H](O)C=C(CO)[C@@H]2O
Compound: Julocrotine
SMILES: CCC(C)C(=O)NC1CCC(=O)N(CCc2ccccc2)C1=O
Compound: Pahayokolide A
SMILES: C\C=C1/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)[C@@H](CC(CC(O)C(O)CC(C)C)OC(=O)[C@H](CC(C)C)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CO)NC1=O)=C/C)[C@@H](C)O
Compound: Pahayokolide B
SMILES: C\C=C1/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)[C@@H](CC(O)CC(O)C(O)CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CO)NC1=O)=C/C)[C@@H](C)O
Compound: 3S-hydrangenol 4'-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3ccc(cc3)[C@@H]3Cc4cccc(O)c4C(=O)O3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: thunberginol F 7-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2cccc3\C(OC(=O)c23)=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid
SMILES: OC(=O)c1c(O)cccc1CC(=O)c1ccc(O)cc1
Compound: 2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid
SMILES: OC(=O)c1c(O)cccc1CC(=O)c1ccc(O)c(O)c1
Compound: 2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid
SMILES: COc1cc(cc(O)c1O)C(=O)Cc1cccc(O)c1C(O)=O
Compound: hydrangeic acid 4'-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2ccc(\C=C\c3cccc(O)c3C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: (E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one
SMILES: Oc1ccc(\C=C2/CC(OC2=O)c2ccc(O)c(O)c2)cc1O
Compound: (Z)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone
SMILES: Oc1ccc(\C=C2\C=C(OC2=O)c2ccc(O)c(O)c2)cc1O
Compound: 4beta-[(beta-D-glucopyranosyl)hydroxy]-pinoresinol
SMILES: COc1cc(ccc1O)[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1
Compound: hydrangenol 8-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2cccc3CC(OC(=O)c23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
SMILES: OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)C3Cc4cccc(O)c4C(=O)O3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Compound: hydramacrophyllol B
SMILES: O[C@@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1
Compound: hydramacrophyllol A
SMILES: O[C@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1
Compound: 4alpha-hydroxypinoresinol
SMILES: COc1cc(ccc1O)[C@H]1O[C@@H](O)[C@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1
Compound: hydrangenol 4'-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)C2Cc3cccc(O)c3C(=O)O2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: thunberginol F
SMILES: Oc1cccc2\C(OC(=O)c12)=C\c1ccc(O)c(O)c1
Compound: scorzotomentosin, (rac)-
SMILES: COc1cccc2CC(OC(=O)c12)c1ccc(O)cc1
Compound: epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate
SMILES: O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Compound: epigallocatechin-(4beta->8)-4'-O-methylgallocatechin
SMILES: COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1
Compound: epicatechin-(4beta->8)-4'-O-methylgallocatechin
SMILES: COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
Compound: (4alpha->8)-bis-4'-O-methylgallocatechin
SMILES: COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@H]1[C@H](O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(OC)c(O)c1
Compound: (+)-Dioxosarcoguaiacol, (rel)-
SMILES: C[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@@]1(O)C[C@H]2C
Compound: (+)-Shyobunone
SMILES: CC(C)[C@@H]1CC[C@@](C)(C=C)[C@H](C(C)=C)C1=O
Compound: (+)-Preisocalamenediol
SMILES: CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
Compound: (-)-Isoshyobunone
SMILES: CC(C)[C@@H]1CC[C@@](C)(C=C)C(=C(C)C)C1=O
Compound: (-)-Acorenone
SMILES: CC(C)[C@@H]1CC[C@H](C)[C@@]11CC=C(C)C(=O)C1
Compound: (+)-(7''S,8S,8'R,8''R)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O[C@H](C)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Compound: (+)-(7''S,8S,8'R,8''S)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O[C@@H](C)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Compound: (-)-(7'S,7''S,8R,8'S,8''R)-4,4''-dihydroxy-3',3'',5-trimethoxy-4',8''-oxy-2,7'-cyclo-8,8'-sesquineolignan-7''-ol
SMILES: COc1cc2C[C@@H](C)[C@H](C)[C@@H](c3ccc(O[C@H](C)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)c2cc1O
Compound: (+)-(8S,8'R)-4-hydroxy-5-methoxy-1',2',3',4',5',6'-hexanor-2,7'-cyclolignan-7'-one
SMILES: COc1cc2C[C@H](C)[C@@H](C)C(=O)c2cc1O
Compound: (+)-(8R,8'R)-4-hydroxy-5-methoxy-1',2',3',4',5',6'-hexanor-2,7'-cyclolignan-7'-one
SMILES: COc1cc2C[C@@H](C)[C@@H](C)C(=O)c2cc1O
Compound: clofarabine
SMILES: Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
Compound: (+)-(7'S,8S,8'S)-3',4,4'-trihydroxy-5,5'-dimethoxy-2,7'-cyclolignan
SMILES: COc1cc2C[C@H](C)[C@H](C)[C@@H](c3cc(O)c(O)c(OC)c3)c2cc1O
Compound: (+)-(7'S,8S,8'S)-3',4,4'-trihydroxy-5-methoxy-2,7'-cyclolignan
SMILES: COc1cc2C[C@H](C)[C@H](C)[C@@H](c3ccc(O)c(O)c3)c2cc1O
Compound: rel-(+)-(7'S,8S,8'S)-4,4'-dihydroxy-3',5,5'-trimethoxy-2,7'-cyclolignan
SMILES: COc1cc2C[C@H](C)[C@H](C)[C@@H](c3cc(OC)c(O)c(OC)c3)c2cc1O
Compound: (+)-(8S,8'R)-3',4,4'-trihydroxy-5,5'-dimethoxylignan
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2cc(O)c(O)c(OC)c2)ccc1O
Compound: (+)-(8S,8'R)-4,4'-dihydroxy-3,3',5'-trimethoxylignan
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O
Compound: (+)-(8S,8'R)-4-hydroxy-3,3',4',5'-tetramethoxylignan
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)ccc1O
Compound: (+)-(8S,8'R)-9-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
SMILES: COc1cc(C[C@H](COC(C)=O)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O
Compound: (+)-(8S,8'R)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
SMILES: COc1cc(C[C@H](C)[C@H](COC(C)=O)Cc2cc(OC)c(O)c(OC)c2)ccc1O
Compound: (+)-(8S,8'R)-4,4'-dihydroxy-3-methoxylignan
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)cc2)ccc1O
Compound: rel-(-)-(7S,7'R,8S,8'R)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
SMILES: COc1cc(ccc1O)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1cc(OC)c(O)c(OC)c1
Compound: (-)-(7R,8R,8'R)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,9'-epoxylignan
SMILES: COc1cc(ccc1O)[C@@H]1OC[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H]1C
Compound: (+)-lyoniresinol
SMILES: COc1cc(cc(OC)c1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12
Compound: meso-dihydroguaiaretic acid
SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O
Compound: Methantheline
SMILES: CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc12
Compound: (-)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan
SMILES: COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)cc1OC
Compound: (+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan
SMILES: COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O
Compound: henricine B
SMILES: COc1cc(ccc1O)C(C(C)C(C)COC(C)=O)c1ccc(O)c(OC)c1
Compound: (+)-guaiacin
SMILES: COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)Cc2cc(OC)c(O)cc12
Compound: (-)-isoguaiacin
SMILES: COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)Cc2cc(OC)c(O)cc12
Compound: (-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan
SMILES: COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c12
Compound: (-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol
SMILES: COc1cc(cc(OC)c1O)[C@H]1O[C@@H]([C@@H](CO)[C@@H]1CO)c1cc(OC)c(O)c(OC)c1
Compound: Esulatin H, (rel)-
SMILES: [H][C@@]12O[C@](O)([C@H](C)[C@@H]1OC(C)=O)[C@]1(C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@]1([H])[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C2(C)C)OC(C)=O
Compound: Esulatin I, (rel)-
SMILES: [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](CC(=O)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(=O)c1ccccc1)[C@@H]2OC(C)=O)OC(C)=O)OC(C)=O
Compound: Esulatin J, (rel)-
SMILES: [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C(=O)C[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
Compound: Methantheline bromide
SMILES: [Br-].C1=CC=C2C(=C1)C(C=3C(O2)=CC=CC3)C(OCC[N+](CC)(C)CC)=O
Compound: Esulatin K, (rel)-
SMILES: [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](C[C@@H](OC(=O)c3cccnc3)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(=O)c1cccnc1)[C@@H]2OC(C)=O)OC(C)=O)OC(C)=O
Compound: Esulatin L, (rel)-
SMILES: [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](C[C@@H](OC(=O)c3cccnc3)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O)OC(C)=O)OC(=O)C(C)C
Compound: Esulatin M, (rel)-
SMILES: [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)[C@@H](C[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O)OC(=O)c1cccnc1
Compound: 2alpha,3beta,5alpha,7beta,15beta-pentaacetoxy-9alpha-nicotinoyloxyjatropha-6(17),11-dien-14-one
SMILES: [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](C[C@@H](OC(=O)c3cccnc3)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O)OC(C)=O)OC(C)=O
Compound: Salicinolide
SMILES: [H][C@]12O[C@]1([H])C(C)(C)[C@]1([H])OC(=O)CC[C@](O)([C@H](OC(=O)C(C)C)[C@H]1OC(C)=O)[C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](C)(C[C@]1(OC(C)=O)C(=O)[C@@H]2C)OC(C)=O
Compound: doxapram
SMILES: CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1
Compound: Euphosalicin
SMILES: [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](C[C@@H](OC(=O)c3cccnc3)[C@@](C)(C\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(=O)c1cccnc1)[C@@H]2OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Compound: conivaptan
SMILES: Cc1nc2CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc3-c2[nH]1
Compound: (E)-2-(hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol
SMILES: CCCCC\C=C\c1c(O)cc(CC=C(C)C)c(O)c1CO
Compound: (E)-4-(hept-1-enyl)-7-(3-methylbut-2-enyl)-2,3-dihydrobenzofuran-2,5-diol
SMILES: CCCCC\C=C\c1c(O)cc(CC=C(C)C)c2OC(O)Cc12
Compound: Flavoglaucin
SMILES: CCCCCCCc1c(O)cc(CC=C(C)C)c(O)c1C=O
Compound: Tetrahydroauroglaucin
SMILES: CCCCC\C=C\c1c(O)cc(CC=C(C)C)c(O)c1C=O
Compound: Methaphenilene
SMILES: CN(C)CCN(Cc1cccs1)c1ccccc1
Compound: Dihydroauroglaucin
SMILES: CCC\C=C\C=C\c1c(O)cc(CC=C(C)C)c(O)c1C=O
Compound: Auroglaucin
SMILES: C\C=C\C=C\C=C\c1c(O)cc(CC=C(C)C)c(O)c1C=O
Compound: echinulin
SMILES: C[C@@H]1NC(=O)[C@H](CC2=C(NC3=C(CC=C(C)C)C=C(CC=C(C)C)C=C23)C(C)(C)C=C)NC1=O
Compound: 5,7-dihydroxy-4-methylphthalide
SMILES: CC1=C(O)C=C(O)C2=C1COC2=O
Compound: Myrocin D
SMILES: [H][C@@]12CC[C@]3(C)C(=O)O[C@]4([H])[C@H](O)C5=C[C@](C)(CC(=O)[C@]5(O)[C@]1(C2)[C@]34[H])C=C
Compound: Libertellenone E
SMILES: C[C@@]1(CC[C@@]2(O)C(=C1)C(=O)C1=C3[C@@](C)(CC[C@@H](O)[C@]23C)[C@@H](O)O1)C=C
Compound: Libertellenone F
SMILES: C[C@@]1(CC[C@@]2(O)C(=C1)C(=O)C1=C3[C@@](C)(CC[C@@H](O)[C@]23C)CO1)C=C
Compound: Decarboxyhydroxycitrinone
SMILES: Cc1c(O)cc(O)c2c1c(C)c(CO)oc2=O
Compound: Myrocin A
SMILES: [H][C@]12CC[C@@](C)(C(O)=O)C3=C(O)C(=O)C4=C[C@@](C)(CC(=O)[C@@]4(O)[C@]13C2)C=C
Compound: methapyrilene
SMILES: CN(C)CCN(Cc1cccs1)c1ccccn1
Compound: Libertellenone C
SMILES: C[C@@]1(CC[C@@]2(O)C(=C1)C(=O)C(O)=C1[C@](C)(CO)CC[C@@H](O)[C@]21C)C=C
Compound: Cytochalasin E
SMILES: [H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)O\C=C\[C@@](C)(O)C(=O)[C@@H](C)C\C=C\[C@@H]21
Compound: asperaculin A
SMILES: CC1(C)C[C@]2(C)COC(=O)[C@H]3OC(=O)[C@]4(O)CC[C@@H]1C234
Compound: asperparaline A
SMILES: C[C@@H]1CCN2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C
Compound: Fumiformamide
SMILES: COc1ccc(cc1)\C=C(NC=O)\C(NC=O)=C\c1ccc(OS(O)(=O)=O)cc1
Compound: N,N'-((1Z,3Z)-1,4-bis(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
SMILES: COc1ccc(cc1)\C=C(NC=O)\C(NC=O)=C\c1ccc(OC)cc1
Compound: N,N'-((1Z,3Z)-1,4-bis(4-hydroxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
SMILES: Oc1ccc(cc1)\C=C(NC=O)\C(NC=O)=C\c1ccc(O)cc1
Compound: N,N'-((1Z,3Z)-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
SMILES: COc1ccc(cc1)\C=C(NC=O)\C(NC=O)=C\c1ccc(O)cc1
Compound: BU-4704
SMILES: COc1ccc(cc1)\C=C([N+]#[C-])\C(=C\c1ccc(OS(O)(=O)=O)cc1)[N+]#[C-]
Compound: Gemmacolide G, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]11CO1
Compound: methaqualone
SMILES: N1(C=2C(=CC=CC2)C)C(C3=C(C=CC=C3)N=C1C)=O
Compound: Gemmacolide H, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@](C)([C@H](C[C@@H](OC(C)=O)[C@]11CO1)OC(C)=O)[C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl
Compound: Gemmacolide I, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@](C)([C@H](C[C@@H](OC(=O)CC(C)C)[C@]11CO1)OC(C)=O)[C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl
Compound: Gemmacolide J, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]11CO1
Compound: Gemmacolide K, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@@H](OC(=O)CO)\C=C/C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]11CO1
Compound: Gemmacolide L, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@H](OC(=O)COC(=O)CC(C)C)\C=C/C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]11CO1
Compound: Gemmacolide M, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@H](OC(C)=O)\C=C/C(=C)[C@H]2OC)[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]11CO1
Compound: Juncin O, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@]11CO1
Compound: Junceellolide C, (+)-, (rel)-
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@@]1([H])[C@]3(CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl)CO3
Compound: aspergillusene A
SMILES: CC(C)CC\C=C(/C)c1ccc(CO)cc1O
Compound: aspergillusene B
SMILES: CC(C)CCc1oc2cc(ccc2c1C)C(O)=O
Compound: Methazolamide
SMILES: CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Compound: (+)-(7S)-7-O-methylsydonic acid
SMILES: CO[C@@](C)(CCCC(C)C)c1ccc(cc1O)C(O)=O
Compound: aspergillusone A
SMILES: COC(=O)[C@H]1[C@H](O)C=Cc2oc3cc(C)cc(O)c3c(=O)c12
Compound: aspergillusone B
SMILES: COC(=O)[C@]1(O)[C@H](O)CCc2oc3cc(CO)cc(O)c3c(=O)c12
Compound: (+)-(7S)-sydonic acid
SMILES: CC(C)CCC[C@](C)(O)c1ccc(cc1O)C(O)=O
Compound: (7R,8R)-AGI-B4
SMILES: COC(=O)[C@H]1[C@H](O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12
Compound: (7R,8R)-alpha-diversonolic ester
SMILES: COC(=O)[C@]1(O)[C@H](O)CCc2oc3cc(C)cc(O)c3c(=O)c12
Compound: methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
SMILES: COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12
Compound: sydowinin A
SMILES: COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12
Compound: sydowinin B
SMILES: COC(=O)c1c(O)ccc2oc3cc(CO)cc(O)c3c(=O)c12
Compound: pinselin
SMILES: COC(=O)c1c(O)ccc2oc3cc(C)cc(O)c3c(=O)c12
Compound: methdilazine
SMILES: C1=CC=C2C(=C1)SC=3C(N2CC4CN(CC4)C)=CC=CC3
Compound: (11S,14S)-Cyclo-(L-Trp-L-Phe)
SMILES: O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccccc1
Compound: (Z)-6,6',7,3'a-Diligustilide
SMILES: [H][C@@]12CC[C@]3(\C(OC(=O)C3=C1)=C\CCC)[C@@]1([H])C3=C(CC[C@@]21[H])\C(OC3=O)=C\CCC
Compound: (Z)-ligustilide
SMILES: CCC\C=C1OC(=O)C2=C/1CCC=C2
Compound: (Z)-3-butylidenephthalide
SMILES: CCC\C=C1/OC(=O)c2ccccc12
Compound: myristicin
SMILES: C12=C(OCO1)C=C(C=C2OC)CC=C
Compound: (+)-garcinia acid
SMILES: [H][C@@]1(OC(=O)C[C@@]1(O)C(O)=O)C(O)=O
Compound: platensimycin
SMILES: [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C(O)=O)[C@]31[H]
Compound: platensimycin methyl ester
SMILES: [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]
Compound: platensimycin B1
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(N)=O)c2O)[C@]31[H]
Compound: platensimycin B4
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)c(ccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)[C@]31[H]
Compound: hexamethylenetetramine
SMILES: C1N2CN3CN1CN(C2)C3
Compound: platensimycin B4 methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)c(ccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)OC)[C@]31[H]
Compound: platencin
SMILES: [H][C@]12CC[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)NC1=C(O)C(=CC=C1O)C(O)=O)[C@]3([H])C2
Compound: platensimycin A1
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@]31[H]
Compound: platensimycin A1 methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]
Compound: platensimycin B2
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc4c2oc(=O)[nH]c4=O)[C@]31[H]
Compound: platensimycin B3
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)cccc2O)[C@]31[H]
Compound: platensimide A
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)N[C@@H](CCNC(C)=O)C(O)=O)[C@]31[H]
Compound: homoplatensimide A
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CC\C=C(/C)C(=O)N[C@@H](CCC(N)=O)C(O)=O)[C@]31[H]
Compound: homoplatensimide A methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CC\C=C(/C)C(=O)N[C@@H](CCC(N)=O)C(=O)OC)[C@]31[H]
Compound: platencin A1
SMILES: [H][C@@]12C[C@@H](O)[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)[C@]3([H])C2
Compound: Methenamine hippurate
SMILES: C=1(C(NCC(O)=O)=O)C=CC=CC1.N12CN3CN(C1)CN(C2)C3
Compound: platencin A1 methyl ester
SMILES: [H][C@@]12C[C@@H](O)[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]3([H])C2
Compound: platencin A2
SMILES: [H][C@@]12C[C@@]3([H])[C@](C)(CCC(=O)Nc4c(O)ccc(C(O)=O)c4O)C(=O)C=C[C@]3(C[C@@H]1O)CC2=C
Compound: platencin A2 methyl ester
SMILES: [H][C@@]12C[C@@]3([H])[C@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)C(=O)C=C[C@]3(C[C@@H]1O)CC2=C
Compound: platencin A3
SMILES: [H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(O)=O)c4O)[C@]3([H])C1)[C@@H](O)C2=C
Compound: platencin A3 methyl ester
SMILES: [H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@]3([H])C1)[C@@H](O)C2=C
Compound: platensin A4
SMILES: [H][C@@]12CC[C@]3(C[C@@]1(C)O)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)[C@]3([H])C2
Compound: platensic acid
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(O)=O)[C@]31[H]
Compound: platensic acid methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]31[H]
Compound: 14-hydroxyplatensic acid
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(O)=O)[C@]31[H]
Compound: 14-hydroxyplatensic acid methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]31[H]
Compound: 13-hydroxyplatencinic acid methyl ester
SMILES: [H][C@@]12C[C@@H](O)[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]3([H])C2
Compound: platensimycin A2 methyl ester
SMILES: [H][C@@]12C[C@]3([H])[C@@H](O)[C@]4(C[C@]3(C)O1)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]24[H]
Compound: platensimycin A3 methyl ester
SMILES: [H][C@@]12C[C@]3(O)C[C@]4(C[C@]3(C)O1)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]24[H]
Compound: platensimycin A4 methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(CO)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]
Compound: platensimycin A5 methyl ester
SMILES: COC(=O)c1ccc(O)c(NC(=O)CC[C@@]2(C)C3CCC4CC3(CC4(O)CO)C=CC2=O)c1O
Compound: platensimycin A6 methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)[C@H](O)CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]
Compound: Platencin A11 methyl ester
SMILES: [H][C@@]12CC[C@]3(C[C@]1(O)CO)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]3([H])C2
Compound: Platencinic acid glycerol ester
SMILES: [H][C@@]12CC[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)OCC(O)CO)[C@]3([H])C2
Compound: 12-hydroxyplatencinic acid methyl ester
SMILES: [H][C@@]12C[C@@]3([H])[C@](C)(CCC(=O)OC)C(=O)C=C[C@]3(C[C@@H]1O)CC2=C
Compound: 3-(4-(2-(4-(2-hydroxy-3-methoxypropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diol
SMILES: COCC(O)COc1ccc(cc1)C(C)(C)c1ccc(OCC(O)CO)cc1
Compound: methicillin
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C(O)=O
Compound: 6-hydroxy platensimycin A1 methyl ester
SMILES: [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=C(O)C(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@]31[H]
Compound: jasplakinolide D
SMILES: CC[C@@H]1NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O)c1ccc(O)cc1
Compound: jasplakinolide Q
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jasplakinolide R1
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3cc(Br)ccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: (+)-jasplakinolide Z1
SMILES: C[C@H](O)C[C@@H](C)\C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@H](CC(O)=O)c1ccc(O)cc1
Compound: (+)-jasplakinolide Z2
SMILES: COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)O)c1ccc(O)cc1
Compound: (+)-jasplakinolide Z3
SMILES: CCOC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)O)c1ccc(O)cc1
Compound: (-)-jasplakinolide Z4
SMILES: C[C@H](O)C[C@@H](C)\C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(N)=O
Compound: (+)-jasplakinolide V
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)c(O)c1
Compound: (+)-jasplakinolide W
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N\C(=C/C(=O)O1)c1ccc(O)c(O)c1
Compound: (+)-jasplakinolide Z5
SMILES: C[C@@H](C[C@@H](C)\C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(N)=O)OC(=O)CC(=O)c1ccc(O)c(O)c1
Compound: ciguatoxin CTX4B
SMILES: [H][C@]12C\C=C/C[C@@]3([H])O[C@@]4([H])C=C[C@@]5([H])O[C@@]6([H])[C@H](O)[C@@]7([H])O[C@H](C=CC[C@]7([H])O[C@]6([H])C[C@]5([H])O[C@]4([H])C=C[C@]3([H])O[C@]1([H])C[C@@H](O)[C@]1(C)O[C@]3([H])C[C@H](C)C[C@]4([H])O[C@]5([H])[C@@H](C)[C@H](O)[C@]6([H])O[C@]7(CCCO7)[C@@H](C)[C@H](C)[C@@]6([H])O[C@@]5([H])C[C@@]4([H])O[C@@]3([H])C[C@@]1([H])O2)\C=C\C=C
Compound: (+)-diversonol
SMILES: Cc1cc(O)c2C(=O)[C@@]3(O)[C@@H](O)CC[C@H](O)[C@]3(C)Oc2c1
Compound: microdiplodiasol
SMILES: C[C@@]12Oc3cc(CO)cc(O)c3C(=O)[C@@]1(O)[C@@H](O)CC[C@@H]2O
Compound: (+)-microdiplodiasone
SMILES: [H][C@@]1(CCC(=O)O1)[C@@]1(C)CC(=O)c2c(O)cc(O)cc2O1
Compound: (-)-microdiplodiasolol
SMILES: COC1=CC(=O)[C@@H](O)[C@@]2(O)C(=O)c3c(O)cc(C)cc3O[C@]12C
Compound: microdiplactone
SMILES: CCCC1COC(=O)CCN1CCC
Compound: 1,8-dihydroxy-3-methoxy-6-methylxanthone
SMILES: COc1cc(O)c2c(c1)oc1cc(C)cc(O)c1c2=O
Compound: methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
SMILES: COC(=O)c1cc(O)cc2oc3cc(C)cc(O)c3c(=O)c12
Compound: (-)-gynuraone
SMILES: C[C@H]1Oc2cccc(O)c2C(=O)[C@@H]1O
Compound: cycloinumakiol
SMILES: [H][C@@]12CCc3c(ccc4OC[C@@]1(CCCC2(C)C)c34)C(C)C
Compound: inumakal
SMILES: [H][C@@]12CCc3c(ccc(O)c3[C@@]1(C)CCC[C@]2(C)C=O)C(C)C
Compound: inumakoic acid
SMILES: [H][C@@]12CCc3c(ccc(O)c3[C@@]1(C)CCC[C@]2(C)C(O)=O)C(C)C
Compound: nagilactone F
SMILES: [H][C@@]12OC(=O)[C@@]3(C)CCC[C@](C)(C4=CC(=O)O[C@H](C(C)C)C4=C1)[C@@]23[H]
Compound: inumakilactone B
SMILES: [H][C@]12O[C@@]1([H])[C@]1(C)C3=CC(=O)O[C@H](C=C)[C@]33O[C@@H]3[C@@]3([H])OC(=O)[C@@](C)([C@H]2O)[C@@]13[H]
Compound: inumakilactone
SMILES: [H][C@]12O[C@@]1([H])[C@]1(C)C3=CC(=O)O[C@H](C(C)C)[C@]33O[C@@H]3[C@@]3([H])OC(=O)[C@@](C)([C@H]2O)[C@@]13[H]
Compound: bunodosine 391
SMILES: OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c[nH]c2cc(Br)ccc12
Compound: phomalevone A
SMILES: Cc1cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c(O)c1-c1c(C)cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c1O
Compound: phomalevone B
SMILES: Cc1cc(O)c(C(=O)c2c(O)ccc(O)c2C)c(O)c1-c1c(C)cc(O)c(C(=O)c2c(O)ccc(O)c2C)c1O
Compound: phomalevone C
SMILES: Cc1cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c(O)c1-c1c(C)cc2O[C@@]3(C)C(=O)C=CC(O)=C3C(=O)c2c1O
Compound: (+)-8-O-demethylmaritidine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12
Compound: maritinamine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)CC[C@@]11CCN2Cc2cc(O)c(OC)cc12
Compound: (4aS,5R,10bR)-(+)-siculine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12
Compound: 4a-dehydroxycrinamabine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12
Compound: dihydrovittatine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)CC[C@@]11CCN2Cc2cc3OCOc3cc12
Compound: norgalanthamine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@]11CCNCc3ccc(OC)c(O2)c13
Compound: bulbisine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]11CCN2Cc2c(OC)c3OCOc3cc12
Compound: hamayne Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@@]11[C@@H](O)CN2Cc2cc3OCOc3cc12
Compound: 7-methoxycrinamabine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.COc1c2CN3CC[C@]4([C@@H](O)[C@@H](O)CC[C@@]34O)c2cc2OCOc12
Compound: 1-epijosephinine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12
Compound: Methitural
SMILES: CCCC(C)C1(CCSC)C(=O)NC(=S)NC1=O
Compound: vittatine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)C=C[C@@]11CCN2Cc2cc3OCOc3cc12
Compound: epivittatine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@@]11CCN2Cc2cc3OCOc3cc12
Compound: powelline Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@@]12C[C@@H](O)C=C[C@]11CCN2Cc2c(OC)c3OCOc3cc12
Compound: crinamabine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.O[C@H]1CC[C@@]2(O)N3CC[C@]2([C@H]1O)c1cc2OCOc2cc1C3
Compound: 2-O-acetylcrinamabine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CC(=O)O[C@H]1CC[C@@]2(O)N3CC[C@]2([C@H]1O)c1cc2OCOc2cc1C3
Compound: 3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@H](OC(C)=O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12
Compound: 2-O-acetylbulbisine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[C@]11CCN2Cc2c(OC)c3OCOc3cc12
Compound: 1-O-acetylbulbisine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](OC(C)=O)[C@]11CCN2Cc2c(OC)c3OCOc3cc12
Compound: galanthamine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13
Compound: 8-O-demethyloxomaritidine Trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.[H][C@]12CC(=O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12
Compound: (E,E)-bastadin 19
SMILES: O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4cc(Br)c(O)c(Oc5ccc(CCNC1=O)cc5Br)c4)=N/O)cc(Br)c3O)c(Br)c2
Compound: (E,Z)-bastadin 19
SMILES: O\N=C1\Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4cc(Br)c(O)c(Oc5ccc(CCNC1=O)cc5Br)c4)=N/O)cc(Br)c3O)c(Br)c2
Compound: bastadin 5
SMILES: O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4ccc(Br)c(Oc5ccc(CCNC1=O)c(Br)c5O)c4)=N/O)cc(Br)c3O)c(Br)c2
Compound: bastadin 6
SMILES: O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4ccc(Br)c(Oc5ccc(CCNC1=O)c(Br)c5O)c4Br)=N/O)cc(Br)c3O)c(Br)c2
Compound: bastadin 4
SMILES: O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(C(=O)N\C=C\c4ccc(Br)c(Oc5ccc(CCNC1=O)c(Br)c5O)c4)=N/O)cc(Br)c3O)c(Br)c2
Compound: 3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol
SMILES: Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Compound: robinetinidol
SMILES: O[C@H]1Cc2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Compound: 4'-O-methylrobinetinidol 3'-O-beta-D-glucopyranoside
SMILES: COc1c(O)cc(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Oc2cc(O)ccc2C[C@@H]1O
Compound: syringic acid
SMILES: COc1cc(cc(OC)c1O)C(O)=O
Compound: robinetinidol-(4alpha,8)-gallocatechin
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1
Compound: robinetinidol-(4alpha,8)-catechin
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: fisetinidol-(4alpha,8)-catechin
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: fisetinidol-(4alpha,6)-gallocatechin
SMILES: O[C@H]1Cc2c(O[C@@H]1c1cc(O)c(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)ccc13)c1ccc(O)c(O)c1)c2O
Compound: epirobinetinidol-(4beta,8)-catechin
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: 4-hydroxy-2-methoxyphenyl 1-O-beta-D-glucopyranoside
SMILES: COc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
SMILES: COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: multifidol glucoside
SMILES: CC[C@H](C)C(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: methohexital sodium
SMILES: [Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O
Compound: beta-(4-hydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](CO)O[C@H]1OCCc1ccc(O)cc1
Compound: beta-(3,4-dihydroxyphenyl)ethyl-6-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@H]1OCCc1ccc(O)c(O)c1
Compound: beta-(3,4-dihydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](CO)O[C@H]1OCCc1ccc(O)c(O)c1
Compound: beta-(3,4-dihydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: beta-(4-hydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@H]1[C@H](OCCc2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: Calceolarioside B
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: arauridine
SMILES: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Compound: threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol
SMILES: COc1cc(ccc1O)[C@@H](O)[C@@H](CO)Oc1ccc(\C=C\CO)cc1OC
Compound: 4',5,7-trihydroxy-3-methoxyflavone-7-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside
SMILES: COc1c(oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1
Compound: 3',4',5,7-tetrahydroxy-3-methoxyflavone-7-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
SMILES: COc1c(oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
Compound: methomyl
SMILES: CNC(=O)ON=C(C)SC
Compound: 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside
SMILES: COc1c(oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1
Compound: 4',5,7-trihydroxy-3-methoxyflavone-7-O-beta-D-glucopyranoside
SMILES: COc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1
Compound: quercetin 3-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: poricoic acid A
SMILES: CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
Compound: poricoic acid C
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
Compound: poricoic acid G
SMILES: CC(=C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(O)=O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(O)=O
Compound: poricoic acid H
SMILES: CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)C(O)=O
Compound: 25-hydroxy-3-epidehydrotumulosic acid
SMILES: CC(C)(O)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
Compound: dehydroeburiconic acid
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
Compound: trichagmalin A
SMILES: COC(=O)C[C@H]1[C@@]2(C)C[C@]3(OC(C)=O)[C@](CC4=C(CC[C@@]5(C)[C@@H](OC(=O)C(O)=C45)c4ccoc4)[C@]13C)(OC(C)=O)[C@H]2OC(=O)C(\C)=C\C
Compound: Methostenol
SMILES: CC(C)CCCC(C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Compound: trichagmalin B
SMILES: COC(=O)C[C@H]1[C@@]2(C)C[C@]3(OC(C)=O)[C@](CC4=C(CC[C@@]5(C)[C@@H](OC(=O)C(O)=C45)c4ccoc4)[C@]13C)(OC(C)=O)[C@H]2OC(=O)C(C)=C
Compound: trichagmalin C
SMILES: COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](O)C4=C1[C@H](OC(=O)C(C)C)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: 15-acetyltrichagmalin C
SMILES: COC(=O)C[C@H]1[C@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(C)=O)C4=C1[C@H](OC(=O)C(C)C)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: 1,2-diacetyltrichagmalin C
SMILES: COC(=O)C[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](O)C4=C1[C@H](OC(=O)C(C)C)[C@@]3(OC(C)=O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: trichagmalin D
SMILES: COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(C)=O)C4=C1[C@H](OC(C)=O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: trichagmalin E
SMILES: COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(OC(C)=O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](O)C4=C1[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: 15-acetyltrichagmalin E
SMILES: COC(=O)C[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(C)=O)C4=C1[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: trichagmalin F
SMILES: COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(=O)C(C)(C)O)C4=C1[C@H](O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: 30-acetyltrichagmalin F
SMILES: COC(=O)C[C@H]1[C@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(=O)C(C)(C)O)C4=C1[C@H](OC(C)=O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: 1,30-diacetyltrichagmalin F
SMILES: COC(=O)C[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(=O)C(C)(C)O)C4=C1[C@H](OC(C)=O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1
Compound: trichanolide
SMILES: CCC(C)C(=O)O[C@H]1C(C)(C)[C@H](CC(=O)OC)[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)O[C@H]4c4ccoc4)[C@]33O[C@@H]3[C@]1(O)C2=O
Compound: ruageanin B
SMILES: COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(\C)=C\C)[C@]2(O)[C@H]3O[C@@]33[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O
Compound: delta(8,14)-2-hydroxy-6-deoxyswietenine
SMILES: [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)CC3=C1C[C@@]1(O)[C@@H](OC(=O)C(\C)=C\C)C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C1=O)c1ccoc1
Compound: (-)-(2S)-5,7,2'-trihydroxy-5'-(1''',1'''-dimethylallyl)-8-prenylflavanone
SMILES: CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc(ccc1O)C(C)(C)C=C
Compound: (-)-(2S)-5,7,2'-trihydroxy-8,3'-diprenylflavanone
SMILES: CC(C)=CCc1cccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c1O
Compound: (-)-(2S)-5,2'-dihydroxy-6'',6''-dimethylchromeno-(7,8:2'',3'')-3'-prenylflavanone
SMILES: CC(C)=CCc1cccc([C@@H]2CC(=O)c3c(O)cc4OC(C)(C)C=Cc4c3O2)c1O
Compound: Obovatin
SMILES: CC1(C)Oc2cc(O)c3C(=O)C[C@H](Oc3c2C=C1)c1ccccc1
Compound: 3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]maslinic acid
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2
Compound: 3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]arjunolic acid
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2
Compound: 3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]asiatic acid
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2
Compound: methotrimeprazine
SMILES: COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1
Compound: 11alpha-hydroxyasiatic acid
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])([C@H](O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO
Compound: arjunolic acid
SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: stigmasterol 3-O-beta-D-glucoside
SMILES: [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@H](C)\C=C\[C@@H](CC)C(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: flavalin A
SMILES: [H][C@@]12CC[C@@]34O[C@@]([H])(O1)[C@@H](C)[C@@]2([H])[C@]3(C)[C@@H](C)CC=C4
Compound: flavalin B
SMILES: [H][C@@]12[C@H](C)[C@@H](O)O[C@@]3(CCC1=O)C=CC[C@H](C)[C@@]23C
Compound: flavalin C
SMILES: [H][C@@]12[C@H](C)[C@@H](OC)O[C@@]3(CCC1=O)C=CC[C@H](C)[C@@]23C
Compound: flavalin D
SMILES: [H][C@@]12[C@H](C)[C@H](OC)O[C@@]3(CCC1=O)C=CC[C@H](C)[C@@]23C
Compound: methyl spongoate
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H](CCCC(C)C)C(=O)OC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2
Compound: (22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\CC(C)C
Compound: methoxamine
SMILES: C1=C(C=CC(=C1C(O)C(C)N)OC)OC
Compound: (22E)-19,24-dinorcholesta-1,3,5(10),22-tetraen-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\C(C)C
Compound: (22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\C1CC1C
Compound: 24-methylene-19-norcholesta-1,3,5(10)-trien-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C
Compound: (22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](C)C(C)C
Compound: (22E,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C
Compound: 24-methylenecholesta-1,4-dien-3-one
SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: (22E)-24nor-cholesta-1,4,22-trien-3-one
SMILES: CC(C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: 19-norcholesta-1,3,5(10)-trien-3-ol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: cholesta-1,4,22-trien-3-one
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\CC(C)C
Compound: Cepharatine A, (rel)-
SMILES: COc1ccc2C=CC3=CC(=O)[C@@]4(O)C[C@@]3(CCN4C)c2c1O
Compound: Methoxamine hydrochloride
SMILES: Cl.C1(=CC=C(C(=C1)C(C(N)C)O)OC)OC
Compound: Cepharatine B
SMILES: COc1cc2c(C=CC3=CC(=O)[C@@]4(O)C[C@@]23CCN4C)cc1O
Compound: Cepharatine C
SMILES: COc1ccc2C=CC3=CC(=O)[C@]4(C[C@@]3(CCN4C)c2c1O)OC
Compound: Cepharatine D
SMILES: COc1cc2C=CC3=CC(=O)[C@@]4(O)C[C@@]3(CCN4C)c2cc1OC
Compound: Mirabamide E
SMILES: CCC(C)\C=C(C)\C=C/C(O)C(C)(O)C(=O)NCC(=O)N\C(=C/C)C(=O)N[C@@H]([C@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(N)=O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2C[C@@H](Cl)CCN2C(=O)[C@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](COC)NC1=O)[C@H](OC)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1)C(C)C
Compound: Mirabamide F
SMILES: CCC(C)\C=C(C)\C=C/C(O)C(C)C(=O)NCC(=O)N\C(=C/C)C(=O)N[C@@H]([C@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(N)=O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2C[C@@H](Cl)CCN2C(=O)[C@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](COC)NC1=O)[C@H](OC)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1)C(C)C
Compound: Mirabamide G
SMILES: CCC(C)\C=C(C)\C=C/C(O)C(C)(O)C(=O)NCC(=O)N\C(=C/C)C(=O)N[C@@H]([C@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(N)=O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2C[C@@H](Cl)CCN2C(=O)[C@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](COC)NC1=O)[C@H](OC)c1ccc(O)cc1)C(C)C
Compound: Mirabamide H
SMILES: CCC(C)\C=C(C)\C=C/C(O)C(C)C(=O)NCC(=O)N\C(=C/C)C(=O)N[C@@H]([C@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(N)=O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2C[C@@H](Cl)CCN2C(=O)[C@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](COC)NC1=O)[C@H](OC)c1ccc(O)cc1)C(C)C
Compound: Mirabamide C
SMILES: CCC(C)\C=C(C)\C=C/C(O)C(C)(O)C(=O)NCC(=O)NC([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(N)=O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2C[C@@H](Cl)CCN2C(=O)[C@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](COC)NC1=O)[C@H](OC)c1ccc(O)cc1)C(C)C
Compound: plakortolide K
SMILES: [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccccc1)OO2
Compound: plakortolide L
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccccc1)OO2
Compound: Methoxybrassinin
SMILES: COn1cc(CNC(=S)SC)c2ccccc12
Compound: plakortolide M
SMILES: [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccc(O)cc1)OO2
Compound: plakortolide N
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccc(O)cc1)OO2
Compound: plakortolide O
SMILES: [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCC\C=C\C=C\c1ccccc1)OO2
Compound: plakortolide P
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCC\C=C\C=C\c1ccccc1)OO2
Compound: plakortolide Q
SMILES: [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCC\C=C\C=C\c1ccccc1)OO2
Compound: plakortolide R
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCC\C=C\C=C\c1ccccc1)OO2
Compound: plakortolide S
SMILES: [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCCCCc1ccc(O)cc1)OO2
Compound: seco-plakortolide L
SMILES: C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O
Compound: seco-plakortolide O
SMILES: C[C@](O)(CCCCCCCC\C=C\C=C\c1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O
Compound: seco-plakortolide P
SMILES: C[C@](O)(CCCCCCCC\C=C\C=C\c1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O
Compound: methoxychlor
SMILES: COc1ccc(cc1)C(c1ccc(OC)cc1)C(Cl)(Cl)Cl
Compound: plakortone L
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccccc1)O2
Compound: plakortone N
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccc(O)cc1)O2
Compound: plakortone P
SMILES: [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCC\C=C\C=C\c1ccccc1)O2
Compound: seco-plakortolide K
SMILES: C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O
Compound: beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->4)-[alpha-D-GalN-(1->2)]-[alpha-D-Glc-(1->3)]-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo
SMILES: [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]5O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@@H]8[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O[C@@H]9CO)O[C@@H]9[C@H](O)C[C@@](O)(O[C@]9([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9N)[C@H]8O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O
Compound: [beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)]2-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->4)-[alpha-D-GalN-(1->2)]-[alpha-D-Glc-(1->3)]-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo
SMILES: [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]5O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@@H]8[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]8O[C@@H]8[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]9[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]%10[C@H](O)[C@@H](C)O[C@@H](O[C@@H]%11[C@@H](CO)O[C@@H](O[C@H]%12[C@H](O)[C@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)[C@H](O[C@@H]%12CO)O[C@@H]%12[C@H](O)C[C@@](O)(O[C@]%12([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12N)[C@H]%11O[C@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H]%10NC(C)=O)O[C@@H]9C(N)=O)O[C@@H]8C(N)=O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O
Compound: beta-D-Galp-(1->4)-beta-D-Galp-(1->3)-alpha-D-GalpNAc
SMILES: CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Compound: maltitol
SMILES: OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
Compound: alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: methoxyflurane
SMILES: COC(F)(F)C(Cl)Cl
Compound: alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: topaquinone zwitterion
SMILES: [NH3+]C(CC1=CC(=O)C(O)=CC1=O)C([O-])=O
Compound: alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]4CO)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: gamma-Glu-Leu
SMILES: CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
Compound: gamma-Glu-Ile
SMILES: CC[C@H](C)[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
Compound: alpha-D-GalpNAc-(1->4)-[alpha-D-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
Compound: beta-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O