MonarchInit/C3PO huggingface dataset:
Compound: gordonoside K
SMILES: CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (+)-menthofuran
SMILES: C[C@@H]1CCc2c(C)coc2C1
Compound: gordonoside L
SMILES: CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: gordonoside M
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3(C)C)O[C@@H]([C@H]2O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
Compound: gordonoside N
SMILES: CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: gordonoside O
SMILES: CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: gordonoside P
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)CC[C@@]7([C@H](O)C[C@@]65C)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)O[C@@H]([C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: 1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside
SMILES: COc1cc(cc(OC)c1O)C(=O)OC[C@H]1O[C@@H](Oc2cc(O)c(OC)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-vanilloyl)-beta-D-glucopyranoside
SMILES: COc1cc(ccc1O)C(=O)OC[C@H]1O[C@@H](Oc2cc(O)c(OC)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/COC)=Nc1cc2OCOc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c41
Compound: 19(E)-18-Demethoxygardfloramine-N(4)-oxide
SMILES: [H][C@]12C[C@@]3([H])[C@]45C[C@@]([H])([C@@]1([H])COC4=Nc1cc4OCOc4c(OC)c51)[N+]3([O-])C\C2=C\C
Compound: Gardfloramine-N(4)-oxide
SMILES: [H][C@]12C[C@@]3([H])[C@]45C[C@@]([H])([C@@]1([H])COC4=Nc1cc4OCOc4c(OC)c51)[N+]3([O-])C\C2=C/COC
Compound: mepanipyrim
SMILES: CC#Cc1cc(C)nc(Nc2ccccc2)n1
Compound: 18-demethylgardfloramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/CO)=Nc1cc2OCOc2c(OC)c41
Compound: 19(E)-9,18-Didemethoxygardneramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C\C)=Nc1c(OC)cc(OC)cc41
Compound: 19(E)-11-Methoxy-9,18-didemethoxygardneramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C\C)=Nc1c(OC)c(OC)c(OC)cc41
Compound: 9-Demethoxy-18-demethylgardneramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/CO)=Nc1c(OC)cc(OC)cc41
Compound: Minfiensine-N(4)-oxide
SMILES: [H][C@]12C[C@@]34Nc5ccccc5[C@@]3(CC[N+]4([O-])C\C1=C\C)C=C2CO
Compound: gardfloramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/COC)=Nc1cc2OCOc2c(OC)c41
Compound: 19(E)-18-demethoxygardfloramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C\C)=Nc1cc2OCOc2c(OC)c41
Compound: 18-demethylgardneramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/CO)=Nc1c(OC)cc(OC)c(OC)c41
Compound: gardneramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/COC)=Nc1c(OC)cc(OC)c(OC)c41
Compound: 19(E)-18-demethoxygardneramine
SMILES: [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C\C)=Nc1c(OC)cc(OC)c(OC)c41
Compound: Mepenzolate
SMILES: C[N+]1(C)CCCC(C1)OC(=O)C([O-])(c1ccccc1)c1ccccc1
Compound: gardneramine-N(4)-oxide
SMILES: [H][C@]12C[C@@]3([H])[C@]45C[C@@]([H])([C@@]1([H])COC4=Nc1c(OC)cc(OC)c(OC)c51)[N+]3([O-])C\C2=C/COC
Compound: (-)-gambogic acid
SMILES: [H][C@@]12C[C@@]3([H])C(C)(C)O[C@@](CC=C(C)C(O)=O)(C1=O)[C@]31Oc3c(CC=C(C)C)c4O[C@](C)(CCC=C(C)C)C=Cc4c(O)c3C(=O)C1=C2
Compound: Turnagainolide A
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\c1ccccc1)C(C)C
Compound: Turnagainolide B
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\c1ccccc1)C(C)C
Compound: archazolid E
SMILES: CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C
Compound: archazolid F
SMILES: CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C
Compound: prenylterphenyllin A
SMILES: COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)c(O)c1
Compound: prenylterphenyllin B
SMILES: COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)cc1
Compound: prenylterphenyllin C
SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(O)c(CC=C(C)C)c1
Compound: 4''-dehydro-3-hydroxyterphenyllin
SMILES: COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1
Compound: Mepenzolate bromide
SMILES: [Br-].C1CC(OC(C(C=2C=CC=CC2)(C3=CC=CC=C3)O)=O)C[N+](C1)(C)C
Compound: prenylcandidusin A
SMILES: COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c2oc3cc(O)c(O)cc3c12
Compound: prenylcandidusin B
SMILES: COc1cc2oc3c(OC)c(cc(OC)c3c2cc1OC)-c1ccc(O)c(CC=C(C)C)c1
Compound: prenylcandidusin C
SMILES: COc1cc2oc3c(OC)c(cc(OC)c3c2cc1O)-c1ccc(O)c(CC=C(C)C)c1
Compound: prenylterphenyllin
SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(CC=C(C)C)c1
Compound: terprenin
SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1
Compound: 4''-deoxyterphenyllin
SMILES: COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)cc1
Compound: 3-hydroxyterphenyllin
SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(O)c1
Compound: terphenyllin
SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)cc1
Compound: 3,3''-dihydroxyterphenyllin
SMILES: COc1cc(-c2ccc(O)c(O)c2)c(OC)c(O)c1-c1ccc(O)c(O)c1
Compound: candidusin A
SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c2oc3cc(O)c(O)cc3c12
Compound: pethidine
SMILES: C1(C(=O)OCC)(CCN(CC1)C)C2=CC=CC=C2
Compound: candidusin C
SMILES: COc1ccc(cc1)-c1cc(OC)c2c(oc3cc(O)c(O)cc23)c1OC
Compound: Verrucamide A
SMILES: CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CO)N(C)C1=O)C(C)C)C(C)C)C(C)C)C(C)C
Compound: Verrucamide B
SMILES: CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O)C(C)C)C(C)C)C(C)C)C(C)C
Compound: Verrucamide C
SMILES: CC[C@H](C)[C@@H]1N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
Compound: Verrucamide D
SMILES: CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O)C(C)C)C(C)C)C(C)C)C(C)C
Compound: cochinchinoxanthone
SMILES: CC(C)=CC[C@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)c5c(O)cc(O)cc5O[C@]134)C2=O
Compound: cochinensoxanthone
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)c2C[C@H](O)C(C)(C)Oc2c2c1oc1ccc(O)cc1c2=O
Compound: alpha-mangostin
SMILES: COC1=C(CC=C(C)C)C2=C(OC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O)C=C1O
Compound: gamma-mangostin
SMILES: CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
Compound: 1,3,7-trihydroxy-2,4-diisoprenylxanthone
SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O
Compound: mephentermine
SMILES: CNC(C)(C)Cc1ccccc1
Compound: cochinchinone G
SMILES: CC(C)=CCC\C(C)=C\COc1cc(O)c2c(c1)oc1ccc(O)cc1c2=O
Compound: 1,7-dihydroxy-4-methoxyxanthone
SMILES: COc1ccc(O)c2c1oc1ccc(O)cc1c2=O
Compound: daucosterol
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
Compound: 15-O-desmethyl-(5Z)-7-oxozeaenol
SMILES: C[C@H]1C\C=C/C(=O)[C@@H](O)[C@@H](O)C\C=C\c2cc(O)cc(O)c2C(=O)O1
Compound: zeaenol
SMILES: COc1cc(O)c2C(=O)O[C@@H](C)C\C=C\[C@H](O)[C@@H](O)[C@@H](O)C\C=C\c2c1
Compound: 7-epi-zeaenol
SMILES: COc1cc(O)c2C(=O)O[C@@H](C)C\C=C\[C@@H](O)[C@@H](O)[C@@H](O)C\C=C\c2c1
Compound: 5E-7-oxozeaenol
SMILES: COc1cc(O)c2C(=O)O[C@@H](C)C\C=C\C(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1
Compound: 5Z-7-oxozeaenol
SMILES: COc1cc(O)c2C(=O)O[C@@H](C)C\C=C/C(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1
Compound: mephentermine sulfate
SMILES: C1(CC(NC)(C)C)=CC=CC=C1.S(O)(O)(=O)=O.C1(CC(NC)(C)C)=CC=CC=C1
Compound: paraminabeolide A
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C=O)[C@H]1CC(C)=C(C)C(=O)O1
Compound: paraminabeolide B
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12COC(C)=O)[C@H]1C[C@H](C)[C@H](C)C(=O)O1
Compound: paraminabeolide C
SMILES: C[C@H]([C@H](O)[C@@H]1OC(=O)[C@H](C)[C@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12COC(C)=O
Compound: paraminabeolide D
SMILES: C[C@H]([C@H](O)[C@@H]1OC(=O)[C@H](C)[C@@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: paraminabeolide E
SMILES: C[C@H]([C@H](O)[C@@H]1OC(=O)[C@@H](C)[C@@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: paraminabeolide F
SMILES: C[C@@H]1[C@@H](C)C(=O)OC1[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)C=C[C@]45C)[C@@H]2CC[C@@H]3[C@@H]1C
Compound: minabeolide 1
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@H]1CC(C)=C(C)C(=O)O1
Compound: minabeolide 2
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O)[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1
Compound: minabeolide 4
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@H]1CC[C@H](C)C(=O)O1
Compound: minabeolide 5
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O)[C@H](C)[C@H]1CC[C@H](C)C(=O)O1
Compound: mephenytoin
SMILES: CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2
Compound: minabeolide 8
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](C[C@]12C)OC(C)=O)[C@H](C)[C@H]1CC[C@H](C)C(=O)O1
Compound: (-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
SMILES: [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](COC(N)=O)[C@H](O)[C@@H](O)[C@H]1NC(=O)C[C@H](CCCN)NC(C)=O
Compound: (+)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F acid
SMILES: [H][C@@]1(N\C(N[C@]1([H])C(O)=O)=N/[C@@H]1O[C@H](COC(N)=O)[C@H](O)[C@@H](O)[C@H]1NC(=O)C[C@H](CCCN)NC(C)=O)[C@H](O)CN
Compound: (-)-(2R,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
SMILES: [H][C@]12N\C(N[C@@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](COC(N)=O)[C@H](O)[C@@H](O)[C@H]1NC(=O)C[C@H](CCCN)NC(C)=O
Compound: (+)-(2S,3S,4R,7alpha)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
SMILES: [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@H]1O[C@H](COC(N)=O)[C@H](O)[C@@H](O)[C@H]1NC(=O)C[C@H](CCCN)NC(C)=O
Compound: (-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E
SMILES: [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](COC(N)=O)[C@H](O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN
Compound: streptothricin E
SMILES: [H][C@]12NC(N[C@@H]3O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]3NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN)=N[C@]1([H])C(=O)NC[C@H]2O
Compound: Nbeta-acetylstreptothricin D
SMILES: [H][C@]12NC(N[C@@H]3O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]3NC(=O)C[C@H](CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN)NC(C)=O)=N[C@]1([H])C(=O)NC[C@H]2O
Compound: Nbeta-acetylstreptothricin E
SMILES: [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@H](CCCNC(=O)C[C@@H](N)CCCN)NC(C)=O
Compound: purginoside I
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O[C@]2([H])O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2OC(=O)\C=C\c2ccccc2)[C@H](C)O[C@@]([H])(O[C@H]2[C@H](C)O[C@@]3([H])O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)[C@@H]1OC(=O)CCCCCCCCC
Compound: mephobarbital
SMILES: CCC1(C(=O)NC(=O)N(C)C1=O)c1ccccc1
Compound: purginoside II
SMILES: [H][C@]1(O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](OC(=O)\C=C\c2ccccc2)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@H](C)O[C@@]3([H])O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)[C@H](OC(=O)CCCCCCCCC)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: purgin I
SMILES: [H][C@]1(O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c2ccccc2)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@H](C)O[C@@]([H])(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]3([H])O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H](CO)O[C@@]([H])(O[C@@H]4[C@@H](O[C@]5([H])O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]5OC(=O)\C=C\c5ccccc5)[C@H](C)O[C@@]([H])(O[C@H]5[C@H](C)O[C@@]6([H])O[C@@H]7[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]7O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]6[C@@H]5O)[C@@H]4OC(=O)CCCCCCCCCCC)[C@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@H](OC(=O)CCCCCCCCCCC)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Gaudichaudianic acid, (-rac)
SMILES: CC(C)=CCCC1(C)Oc2c(CC=C(C)C)cc(cc2C=C1)C(O)=O
Compound: breynceanothanolic acid
SMILES: C[C@H]1CC(C)(C)[C@]23CC[C@]4(C)[C@]5(CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@@]46C(=O)O5)C(O)=O)C(C)=C)[C@]12O3
Compound: fruticoside A
SMILES: CC(C)C(=C)CC[C@@H](CO)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Compound: fruticoside B
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Compound: fruticoside C
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Compound: fruticoside D
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(O)=O
Compound: fruticoside E
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(O)=O
Compound: fruticoside F
SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(S)=O
Compound: mepivacaine
SMILES: CN1CCCCC1C(=O)Nc1c(C)cccc1C
Compound: fruticoside G
SMILES: C\C=C(\CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C(S)=O)C(C)C
Compound: zizyberanalic acid
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Compound: isoceanothic acid
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)[C@H](O)[C@H]5C(O)=O)[C@@H]12)C(O)=O
Compound: stigmastane-3beta,5alpha,6beta-triol
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Compound: stigmast-5-ene-3beta,7alpha-diol
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Compound: sitoindoside I
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CC[C@@H](CC)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O
Compound: glochidone
SMILES: CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Compound: glochidonol
SMILES: CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Compound: 20(29)-lupene-1beta,3alpha-diol
SMILES: CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Compound: 20(29)-lupene-1beta,3beta-diol
SMILES: CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Compound: mepivacaine hydrochloride
SMILES: Cl.CN1CCCCC1C(=O)Nc1c(C)cccc1C
Compound: 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Compound: 8-Hydroxyeupolauridine
SMILES: Oc1ccc-2c(c1)-c1nccc3ccnc-2c13
Compound: 9-Methoxyeupolauridine 1-oxide
SMILES: COc1ccc-2c(c1)-c1[n+]([O-])ccc3ccnc-2c13
Compound: 11-Methoxysampangine
SMILES: COc1cccc2C(=O)c3nccc4ccnc(-c12)c34
Compound: Eupolauridine N-oxide
SMILES: [O-][n+]1ccc2ccnc3-c4ccccc4-c1c23
Compound: Eupolauridine
SMILES: c1ccc-2c(c1)-c1nccc3ccnc-2c13
Compound: sampangine
SMILES: O=C1C2=C(C=CC=C2)C2=C3C(C=CN=C13)=CC=N2
Compound: Thiopalmyrone
SMILES: COC1=CC(=O)S[C@@H](CO)C1
Compound: Palmyrrolinone
SMILES: COC(\C=C\CO)=C\C(=O)N1[C@@H](C)C=CC1=O
Compound: Lyngbic acid
SMILES: CCCCCCC[C@@H](C\C=C\CCC(O)=O)OC
Compound: Meprobamate
SMILES: C(COC(N)=O)(COC(N)=O)(CCC)C
Compound: chaetoviridin A
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O)=C3C2=CO1
Compound: chaetoviridin B
SMILES: [C@@]12(O[C@@]3(C(C(Cl)=C4C([C@]3([H])[C@]1(C(O[C@@H]([C@H]2C)C)=O)[H])=COC(=C4)/C=C/C(CC)C)=O)C)O
Compound: chaetoviridin E
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)C(\C)=C\C)=C3C2=CO1
Compound: 5'-epichaetoviridin A
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@H](C)O)=C3C2=CO1
Compound: 4'-epichaetoviridin A
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1
Compound: 4'-epichaetoviridin F
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)CC)=C3C2=CO1
Compound: 12beta-hydroxychaetoviridin C
SMILES: C[C@@H](O)[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H]([C@H]3C2=CO1)C(=O)[C@@H](C)[C@H](C)O
Compound: chaetoviridin G
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H]([C@H]3C2=CO1)C(=O)C(\C)=C\C
Compound: mepyramine
SMILES: COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Compound: chaetoviridin H
SMILES: CC[C@H](C)\C=C\C1=CC2=CC(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O)=C3C2=CO1
Compound: chaetoviridin I
SMILES: CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C4=C(OC(O1)C2(O)C34O)C(C)C(C)O
Compound: (+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol
SMILES: COc1cc2C[C@@H]3COc4cc(OC)c(O)c(OC)c4[C@@H]([C@@H]3CO)c2c(OC)c1O
Compound: (+)-(7S,8S)-1',4-dihydroxy-3,3',5'-trimethoxy-7',8',9'-trinor-8,4'-oxyneolignan-7,9-diol
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1c(OC)cc(O)cc1OC
Compound: (+)-(7S,8S)-4-hydroxy-3,3',5'-trimethoxy-8',9'-dinor-8,4'-oxyneolignan-7,9-diol-7'-oic acid
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)C(O)=O
Compound: (-)-(7R,8S,7''S,8''R)-3,3'',5,5'-tetramethoxy-4''-hydroxy-4',7-epoxy-8',9'-dinor-4,8''-oxy-8,3'-sesquineolignan-7'',9,9''-triol-7'-al
SMILES: COc1cc(C=O)cc2[C@@H](CO)[C@@H](Oc12)c1cc(OC)c(O[C@H](CO)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1
Compound: (-)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol
SMILES: COc1cc(\C=C\CO)cc2[C@@H](CO)[C@@H](Oc12)c1cc(OC)c(OC)c(OC)c1
Compound: (+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether
SMILES: CCOC\C=C\c1cc2[C@H](CO)[C@H](Oc2c(OC)c1)c1ccc(O)c(OC)c1
Compound: (-)-(7'S,8S,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
SMILES: COc1cc(cc(OC)c1O)[C@H]1OC[C@H]([C@@H]1CO)C(=O)c1cc(OC)c(O)c(OC)c1
Compound: (+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-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(OC)c(OC)c1
Compound: merbromin
SMILES: C1=C(C(C=C2C1=C(C3=C(O2)C(=C(C(=C3)Br)[O-])[Hg]O)C4=CC=CC=C4C([O-])=O)=O)Br.[Na+].[Na+]
Compound: (-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane
SMILES: COc1cc(cc(OC)c1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(OC)c(OC)c1
Compound: (-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5-tetramethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol
SMILES: COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (-)-(7R,7'R,7''S,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5-tetramethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol
SMILES: COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol
SMILES: COc1cc(cc(OC)c1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (-)-(7R,7'R,7''S,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol
SMILES: COc1cc(cc(OC)c1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5',5''-hexamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol
SMILES: COc1ccc([C@@H](O)[C@H](CO)Oc2c(OC)cc(cc2OC)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)c(OC)c1O
Compound: (-)-(7R,7'R,7''S,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5',5''-hexamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol
SMILES: COc1ccc([C@H](O)[C@H](CO)Oc2c(OC)cc(cc2OC)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)c(OC)c1O
Compound: (+)-(7R,7'R,7''R,7'''R,8S,8'S,8''S,8'''S)-4'',4'''-dihydroxy-3,3',3'',3''',5,5'-hexamethoxy-7,9':7',9-diepoxy-4,8'':4',8'''-bisoxy-8,8'-dineolignan-7'',7''',9'',9'''-tetraol
SMILES: COc1cc(ccc1O)[C@@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (+)-(7R,7'R,7''S,7'''S,8S,8'S,8''S,8'''S)-4'',4'''-dihydroxy-3,3',3'',3''',5,5'-hexamethoxy-7,9':7',9-diepoxy-4,8'':4',8'''-bisoxy-8,8'-dineolignan-7'',7''',9'',9'''-tetraol
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (+)-(7R,7'R,7''R,7'''S,8S,8'S,8''S,8'''S)-4'',4'''-dihydroxy-3,3',3'',3''',5,5'-hexamethoxy-7,9':7',9-diepoxy-4,8'':4',8'''-bisoxy-8,8'-dineolignan-7'',7''',9'',9'''-tetraol
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@H](O)c2cccc(O)c2OC)c(OC)c1
Compound: (-)-(7''R,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
SMILES: COc1cc(cc(OC)c1O[C@@H](CO)[C@H](O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: (-)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
SMILES: COc1cc(cc(OC)c1O[C@@H](CO)[C@@H](O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: (-)-(7''R,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
SMILES: COc1cc(ccc1O)[C@@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: (-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: (-)-medioresinol
SMILES: COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1
Compound: (-)-(7R,8S)-guaiacylglycerol
SMILES: COc1cc(ccc1O)[C@@H](O)[C@@H](O)CO
Compound: (+)-(7S,8S)-guaiacylglycerol
SMILES: COc1cc(ccc1O)[C@H](O)[C@@H](O)CO
Compound: 7-methoxytricin
SMILES: COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(O)c(OC)c1
Compound: (-)-5'-methoxyisolariciresinol
SMILES: COc1cc2C[C@H](CO)[C@@H](CO)[C@H](c3cc(OC)c(O)c(OC)c3)c2cc1O
Compound: (+)-(7S,8S)-guaiacylglycerol-beta-vanillic acid ether
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1ccc(cc1OC)C(O)=O
Compound: Mercaptoacetyl-Phe-Leu
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(O)=O
Compound: (+)-(7S,8R,8'R)-5,5'-dimethoxylariciresinol
SMILES: COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
Compound: (+)-5'-methoxylariciresinol
SMILES: COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2cc(OC)c(O)c(OC)c2)ccc1O
Compound: Isoadenolin A
SMILES: [H][C@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](OC(C)=O)[C@]4(O)OC5O[C@@]1([H])[C@@]34[C@H](O)C2=C
Compound: Isoadenolin B
SMILES: [H][C@]12CC[C@@]3([H])[C@]45[C@H](CCC(C)(C)[C@@]4([H])[C@H](O)[C@]4(O)OC5O[C@@H]1[C@@]34C(=O)C2=C)OC(C)=O
Compound: Isoadenolin C
SMILES: [H][C@]12CC[C@@]3([H])[C@]45[C@@H](O)CCC(C)(C)[C@@]4([H])[C@H](O)[C@]4(O)OC5O[C@@H]1[C@@]34C(=O)[C@@H]2COC
Compound: Isoadenolin D, (rel)-
SMILES: [H][C@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@](O)(O[C@@H]5OC)[C@]3([C@@H]1O)C(=O)[C@H]2COC
Compound: Isoadenolin E, (rel)-
SMILES: [H][C@@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@](O)(O[C@@H]5OC)[C@@]3([C@H](O)C1=C)[C@@H]2O
Compound: Isoadenolin F, (rel)-
SMILES: [H][C@@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](OC(C)=O)[C@](O)(O[C@@H]5OC)[C@@]3([C@H](O)C1=C)[C@@H]2O
Compound: Isoadenolin G, (rel)-
SMILES: [H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@](O)(O[C@@H]5OC)[C@@]3([C@H](O)C1=C)[C@@H]2O
Compound: Isoadenolin H
SMILES: [H][C@]12CC[C@@]3([H])[C@]45[C@H](CCC(C)(C)[C@@]4([H])[C@H](O)[C@](O)(O[C@H]5OC)[C@]3([C@@H]1O)C(=O)C2=C)OC(C)=O
Compound: Isoadenolin I, (rel)-
SMILES: [H][C@]12CC=C3[C@@]45CO[C@@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C1)C(=O)C2=C
Compound: Isoadenolin J
SMILES: [H][C@]12CC=C3[C@@]45CO[C@@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Isoadenolin K
SMILES: [H][C@]12C[C@@]3([C@H](O)C1=C)C(=C[C@@H]2O)[C@@]12CO[C@@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]2OC(C)=O
Compound: Isoadenolin L
SMILES: [H][C@@]12CC[C@]3([H])[C@]([C@H](O)C1=C)([C@@H]2O)[C@@]1(O)OC(=O)[C@]32[C@H](CCC(C)(C)[C@@]2([H])[C@@H]1O)OC(C)=O
Compound: Lasiokaurin
SMILES: [H][C@]12CC[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Xerophilusin N
SMILES: [H][C@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5=O)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Effusanin B
SMILES: [H][C@]12CC[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C1)C(=O)C2=C
Compound: Longikaurin E
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)C2=C
Compound: Xerophilusin J
SMILES: [H][C@]12CC[C@@]3([H])[C@@]45C(O)O[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Lasiokaurinin
SMILES: [H][C@]12CC[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3([C@@H]1O)C(=O)[C@H]2COC
Compound: Macrocalin B
SMILES: [H][C@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@]4(O)O[C@]5([H])O[C@]1([H])[C@@]34C(=O)C2=C
Compound: Ponicidin
SMILES: [H][C@]12CC[C@@]3([H])[C@]45[C@@H](O)CCC(C)(C)[C@@]4([H])[C@H](O)[C@@]4(O)O[C@]5([H])O[C@]1([H])[C@@]34C(=O)C2=C
Compound: Xerophilusin B
SMILES: [H][C@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@]4(O)OC5O[C@@H]1[C@@]34C(=O)C2=C
Compound: Adenolin B
SMILES: [H][C@]12C[C@@H](O)[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])[C@@](C)(CC[C@@H]5O)COC(C)=O)[C@]3(C1)C(=O)C2=C
Compound: Adenolin D
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@@H]2COC
Compound: Adenolin C
SMILES: [H][C@]12C[C@@H](O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@@H]2COC
Compound: Adenolin A
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@@H]2COC
Compound: Longikaurin A
SMILES: [H][C@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Lasiodonin acetonide
SMILES: [H][C@]12C[C@]3([H])OC(C)(C)O[C@@]4([H])CCC(C)(C)[C@@]5([H])[C@H](O)[C@@]6(O)OC[C@@]45[C@@]3([H])[C@@]6(C1)C(=O)C2=C
Compound: Rabdoternin A
SMILES: [H][C@@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5=O)[C@@]3([C@H](O)C1=C)[C@@H]2O
Compound: Rabdoternin E
SMILES: [H][C@]12CC[C@@]3([H])[C@]45[C@@H](O)CCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(O[C@H]5OC)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Nervosanin A
SMILES: [H][C@]12CC[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5O)[C@]3(C1)C(=O)[C@@H]2COC
Compound: Lasiokaurinol
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@H](O)C1=C)[C@@H]2O
Compound: Xerophilusin XII
SMILES: [H][C@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(O[C@@H]5OC)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Longikaurin F
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)C2=C
Compound: Longikaurin D
SMILES: [H][C@]12C[C@@H](O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)C2=C
Compound: Adenolin E
SMILES: [H][C@]12C[C@H](O)[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C1)C(=O)[C@@H]2COC
Compound: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-diacetoxy-5,6-epoxylathyr-12-en-14-one
SMILES: C[C@H]1C[C@@]2(OC(C)=O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(C)=O
Compound: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
SMILES: C[C@H]1C[C@@]2(O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(C)=O
Compound: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-15-acetoxy-5,6-epoxylathyr-12-en-3-ol-14-one
SMILES: C[C@H]1C[C@@]2(OC(C)=O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O
Compound: (+)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
SMILES: C[C@H]1C[C@@]2(O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(=O)\C=C\c1ccccc1
Compound: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-dibenzoyloxy-5,6-epoxylathyr-12-en-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(=O)c1ccccc1
Compound: (+)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-benzoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
SMILES: C[C@H]1C[C@@]2(O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(=O)c1ccccc1
Compound: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-15-benzoyloxy-5,6-epoxylathyr-12-en-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(C)=O
Compound: (-)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one
SMILES: C[C@H]1C[C@@]2(OC(C)=O)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(C)=O
Compound: (+)-(5E,12E,2S,3S,4S,9S,11S,15R)-3-cinnamoyloxylathyra-5,12-dien-15-ol-14-one
SMILES: C[C@H]1C[C@@]2(O)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1OC(=O)\C=C\c1ccccc1
Compound: (-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-cinnamoyloxylathyra-5,12-dien-3-ol-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O
Compound: (-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O
Compound: (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
SMILES: C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)\C=C\c1ccccc1)[C@@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one
SMILES: C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](OC(=O)\C=C\c1ccccc1)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: meropenem trihydrate
SMILES: [H]O[H].[H]O[H].[H]O[H].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Compound: (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-acetoxy-15-benzoyloxylathyra-6,12-dien-5-ol-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1OC(C)=O)[C@@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1O)[C@@H](OC(C)=O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-3,5-di-O-isopropylidenelathyra-6,12-dien-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@H]([C@H]1OC(C)=C)[C@@H](OC(C)=C)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: (+)-(12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-lathyra-6(17),12-diene-3,5-diol-14-one
SMILES: C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: 15beta-O-benzoyl-5alpha-hydroxyisolathyrol
SMILES: C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1O)[C@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
Compound: jolkinol A
SMILES: C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(CO)\C2=O)C3(C)C)[C@H]1O
Compound: Talaperoxide A
SMILES: CC(=O)O[C@H]1CC[C@]23C[C@@H]1OO[C@]2(C)C(=O)CCC3(C)C
Compound: Talaperoxide B
SMILES: CC(=O)O[C@H]1CC[C@]23C[C@@H]1OO[C@@]2(C)C(=O)CCC3(C)C
Compound: Talaperoxide C
SMILES: CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@]12CCC3=O
Compound: Talaperoxide D
SMILES: CC1(C)CCC(=O)[C@]2(C)OO[C@H]3C[C@]12CCC3=O
Compound: Mersalyl acid
SMILES: COC(CNC(=O)c1ccccc1OCC(O)=O)C[Hg]O
Compound: Steperoxide B
SMILES: CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@]12CC[C@@H]3O
Compound: 3-epi-gitingensine
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C
Compound: Paravallarine
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC
Compound: 7alpha-Hydroxyparavallarine
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])[C@H](O)C=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC
Compound: Gitingensine
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C
Compound: N-methylgitingensine
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC
Compound: N-acetylgitingensine
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC(C)=O
Compound: Kibalaurifoline
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])C=CC5=C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)N(C)C(C)=O
Compound: Kibalaurifenone
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])C(=O)C=C5C=CCC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C
Compound: 7,8-Epoxyfurospongin-1, (rel)-
SMILES: C[C@@H](CCCc1ccoc1)C[C@@H](O)C[C@]1(C)O[C@@H]1CCc1ccoc1
Compound: Officinoic acid A
SMILES: CCCCCC\C(C)=C/C(=O)OCC(C)CCCC(C)CC(O)=O
Compound: Officinoic acid B
SMILES: CCCCCCC\C(C)=C/C(=O)OC(C)CCCC\C=C(\C)CC(O)=O
Compound: Isofurospongin-4
SMILES: COC(=O)C(\CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC\C(C)=C\CCc1ccoc1
Compound: Anhydrofurospongin-1
SMILES: C\C(CCCc1ccoc1)=C/CC\C(C)=C\CCc1ccoc1
Compound: Tetrahydrofurospongin-2
SMILES: C[C@@H](CCCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1
Compound: Dihydrofurospongin-2
SMILES: C[C@@H](CCCc1ccoc1)CC(=O)C\C(C)=C\CCc1ccoc1
Compound: Furospongin-1
SMILES: C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1
Compound: Furospongolide
SMILES: C\C(CCCC1=CC(=O)OC1)=C/CC\C(C)=C\CCc1ccoc1
Compound: Furospongin-4
SMILES: COC(=O)C(\C)=C\CC\C(=C\CC\C(C)=C\CC\C(C)=C\CCc1ccoc1)C(O)=O
Compound: 12alpha-Deoxoscalarin
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H](OC(C)=O)[C@@]4(C)[C@@]3([H])CC=C3CO[C@@H](O)[C@]43[H])[C@@]1(C)CCCC2(C)C
Compound: Mesaconitine
SMILES: COC[C@]12CN(C)C3[C@@H]4[C@H](OC)[C@H]1[C@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC
Compound: 16-Deacetoxy-12-epi-scalarafuranacetate
SMILES: [H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O
Compound: scalaradial
SMILES: [H]C(=O)[C@H]1C(=CC[C@@]2([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)C([H])=O
Compound: Hippolide A
SMILES: [H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)O1)[C@]1([H])CC(=O)NC1=O
Compound: Hippolide B
SMILES: [H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](OC)O1)[C@]1([H])CC(=O)NC1=O
Compound: Hippolide C
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@@H](O)C1=CC(=O)OC1
Compound: Hippolide D
SMILES: [H][C@]1(CC(=O)OC1=O)[C@H](O)C\C=C(/CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C=O
Compound: HippolideE
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO
Compound: Hippolide F
SMILES: C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO
Compound: Hippolide G
SMILES: CC(CO)CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO
Compound: Hippolide H
SMILES: CC(=C)[C@H](O)CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO
Compound: (6E)-neomanoalide
SMILES: C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO
Compound: (6Z)-neomanoalide
SMILES: C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO
Compound: Trigohownin A, (rel)-
SMILES: [H][C@@]12OC3(O[C@@H]([C@@H](C)[C@]4(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H](O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]14[H])[C@@]2(O)C(C)=C)c1ccccc1
Compound: Trigohownin B, (rel)-
SMILES: [H][C@@]12OC3(O[C@@H]([C@@H](C)[C@]4(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@]14[H])[C@@]2(O)C(C)=C)c1ccccc1
Compound: Trigohownin C, (rel)-
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1
Compound: Trigohownin D
SMILES: [H][C@]12OC3(O[C@]1([C@@H](OC(C)=O)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1
Compound: Trigohownin E, (rel)-
SMILES: [H][C@]12OC3(C)O[C@]1([C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C
Compound: Trigohownin F, (rel)-
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C
Compound: Trigohownin G, (rel)-
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C
Compound: Trigohownin H, (rel)-
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)c3ccccc3)[C@@](OC(C)=O)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C
Compound: mesalamine
SMILES: Nc1ccc(O)c(c1)C(O)=O
Compound: Trigohownin I, (rel)-
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C
Compound: Trigoxyphin D
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1
Compound: Trigoxyphin E
SMILES: [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(OC(C)=O)C(C)=C)c1ccccc1
Compound: Trigoxyphin F
SMILES: [H][C@]12OC3(O[C@]1([C@@H](O)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1
Compound: (-)-duryne
SMILES: O[C@H](\C=C\CCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C
Compound: (-)-duryne B
SMILES: O[C@H](\C=C\CCCCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C
Compound: (-)-duryne C
SMILES: O[C@H](\C=C\CCCCCCCCC\C=C/CCCC\C=C/CCCCC\C=C\[C@@H](O)C#C)C#C
Compound: (-)-duryne D
SMILES: O[C@H](\C=C\CCCCCCCCC\C=C/CCCC\C=C/CCCCCCC\C=C\[C@@H](O)C#C)C#C
Compound: (-)-duryne E
SMILES: O[C@H](\C=C\CCCCCCCCC\C=C/CCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C
Compound: (-)-duryne F
SMILES: O[C@@H](CCCCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)\C=C/C#C
Compound: Illicidione A
SMILES: [H][C@@]12C(=O)[C@@](O)(CC=C)[C@@]([H])(C3=C1OC(C)(C)[C@H](O)C3)[C@@]1([H])[C@](O)(CC=C)C(=O)C=C3O[C@@H](C[C@]213)C(C)(C)O
Compound: Illicidione B
SMILES: CC(C)(O)[C@H]1C[C@@]2(O)C=C(CC=C)C(=O)C(CC3=C4O[C@H](C[C@@]4(O)C=C(CC=C)C3=O)C(C)(C)O)=C2O1
Compound: Illicidione C
SMILES: CC(C)(O)[C@H]1C[C@@]2(O)C[C@H](CC=C)C(=O)C(CC3=C4O[C@H](C[C@@]4(O)C[C@H](CC=C)C3=O)C(C)(C)O)=C2O1
Compound: brugunin A
SMILES: COc1cc2C[C@H]3COC(C)(C)OC[C@@H]3[C@@H](c3cc(OC)c(O)c(OC)c3)c2c(OC)c1O
Compound: Phyllostacin I
SMILES: [H][C@]12C[C@@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@]4(O)OC5O[C@@H]1[C@@]34[C@H](O)C2=C
Compound: (R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one
SMILES: Cc1c(O)cc(O)c2C(=O)OC(=C)[C@](C)(O)c12
Compound: (R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
SMILES: COc1cc(O)c2C(=O)O[C@@](C)([C@H](C)O)c2c1C
Compound: (R)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one
SMILES: COc1cc(O)c2C(=O)OC(=C)[C@](C)(O)c2c1C
Compound: (R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
SMILES: COc1cc(O)c2C(=O)O[C@@](C)(C(C)=O)c2c1C
Compound: Xestoproxamine A, (rel)-
SMILES: [H][C@@]12CC\C=C/CCCCCCN3CC[C@@]4([H])[C@@]([H])(CC\C=C/CCCCCCN(C1)C[C@@]4([H])C2)C3
Compound: Mesembrenone
SMILES: COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1CC(=O)C=C2
Compound: Xestoproxamine B, (rel)-
SMILES: [H][C@@]12CC\C=C/CCCCCCN3CC[C@@]4([H])[C@@]([H])(CCCCCCCCCCN(C1)C[C@@]4([H])C2)C3
Compound: Xestoproxamine C, (rel)-
SMILES: [H][C@@]12CC\C=C/CCCCCCN3CC[C@@]4([H])[C@]([H])(CCCCCCC[C@H](C)CCN(C1)C[C@@]4([H])C2)C3
Compound: 12-Epoxyobtusallene IV
SMILES: [H][C@@]12C[C@@H](O[C@@H](C)[C@@]3([H])O[C@]3([H])C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2)C=C=CBr
Compound: rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester
SMILES: [H][C@@]12C[C@@H](O[C@@H](C)[C@@]3([H])O[C@]3([H])C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2)\C=C\C(=O)OC
Compound: Marilzallene, (rel)-
SMILES: C\C=C\[C@H]1C\C=C/C[C@@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1
Compound: (+)-4-Acetoxymarilzallene
SMILES: C\C=C\[C@H]1C\C=C/C[C@@H](Cl)[C@@H](C[C@@H](OC(C)=O)C=C=CBr)O1
Compound: (-)-4-Acetoxymarilzallene, (rel)-
SMILES: C\C=C\[C@H]1C\C=C/C[C@@H](Cl)[C@@H](CC(OC(C)=O)C=C=CBr)O1
Compound: Z-Adrienyne, (rel)-
SMILES: CC[C@@H](Br)[C@H](Cl)C\C=C/C[C@@H](Cl)[C@H](O)C\C=C/C#C
Compound: (E)-Adrienyne, [rel(threo)]-
SMILES: CC[C@@H](Br)[C@H](Cl)C\C=C/C[C@@H](Cl)[C@H](O)C\C=C\C#C
Compound: Trigonosin A
SMILES: [H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)[C@@H](O)[C@@H](C)C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
Compound: Mesembrine
SMILES: COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1CC(=O)CC2
Compound: Trigonosin B
SMILES: [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](O)[C@@H](C)C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
Compound: Trigonosin C
SMILES: [H][C@]12OC3(O[C@]1([C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](O)[C@@]3(O)[C@H](O)[C@](C)(O)[C@@H](O)[C@@]21[H])C(C)=C)c1ccccc1
Compound: Trigonosin D
SMILES: [H][C@@]12C[C@H](C)[C@H](O)[C@]11O[C@](C)([C@H]1O)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](OC(C)=O)[C@@H](C)[C@]21O)C(C)=C
Compound: Trigonosin E, (rel)-
SMILES: [H][C@]12CC[C@@]([H])([C@H]1C)[C@@H](OC(=O)c1ccccc1)\C=C\C=C\C(=O)O[C@@]1([H])[C@@H](C)C[C@]3([H])[C@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@@]4([H])O[C@@]5(O[C@@]([H])([C@H](C)[C@]31O5)[C@@]4(O)[C@](C)(O)C2)c1ccccc1
Compound: Trigonosin F, (rel)-
SMILES: [H][C@]12CC[C@@]([H])([C@H]1C)[C@@H](OC(=O)c1ccccc1)\C=C\C=C/C(=O)O[C@@]1([H])[C@@H](C)C[C@]3([H])[C@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@@]4([H])O[C@@]5(O[C@@]([H])([C@H](C)[C@]31O5)[C@@]4(O)[C@](C)(O)C2)c1ccccc1
Compound: trigoxyphin A
SMILES: [H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
Compound: trigoxyphin B
SMILES: [H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)C(=O)[C@@H](C)C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
Compound: Obtusallene X, (rel)-
SMILES: [H][C@@]12C[C@@H](O[C@@H](C)[C@@H](O)[C@H](Br)C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2)C=C=CBr
Compound: Mesembrinol
SMILES: COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1C[C@H](O)CC2
Compound: Blumeaene E1
SMILES: CC(C)[C@@H]1C[C@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O
Compound: Blumeaene E2
SMILES: CC(C)[C@@H]1C[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O
Compound: Blumeaene K, (rel)-
SMILES: CC(C)[C@@H]1C[C@H](OC(=O)C(C)(O)C(C)O)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O
Compound: Blumeaene L
SMILES: CC(C)[C@@H]1C[C@H](OC(C)=O)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O
Compound: Blumeaene M
SMILES: CC(C)[C@@H]1C[C@@H](OC(=O)C2(C)OC2C)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O
Compound: Samboginone, (rel)-
SMILES: CC(C)[C@@H]1C[C@H](O)[C@@]2(C)C(=O)CCC(C)=C2C1=O
Compound: cryptomeridiol
SMILES: [H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@@]2(C)O)C(C)(C)O
Compound: austroinulin
SMILES: [H][C@]12[C@H](O)[C@@H](O)[C@](C)(O)[C@@H](C\C=C(\C)C=C)[C@]1(C)CCCC2(C)C
Compound: 3-O-[alpha-L-arabinopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl oleanolic acid
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
Compound: 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)[C@]6([H])C[C@@]5([C@H](O)C[C@@]43C)C(=O)O6)C2(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
Compound: mesoridazine
SMILES: CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
Compound: 3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(O)=O)C2(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
Compound: 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)[C@]6([H])C[C@@]5([C@H](O)C[C@@]43C)C(=O)O6)C2(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
Compound: 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-beta-D-glucopyranosyl oleanolic acid
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-beta-D-glucopyranosyl oleanolic acid
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(O)=O)C2(C)C)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Compound: 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(O)=O)C2(C)C)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Compound: Joro spider toxin-4
SMILES: NCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Compound: chimarrhinin, (rel)-
SMILES: [H][C@]1(OC[C@H](O)[C@H]1OC(=O)c1cc(O)cc(O)c1)[C@]1(CC[C@H](Cc2ccc(O)c(O)c2)C(=O)O1)c1ccc(O)c(O)c1