MonarchInit/C3PO huggingface dataset:
Compound: trigoheterin A, (rel)-
SMILES: [H][C@@]12[C@H](OC(C)=O)[C@@]3(C)O[C@]4([C@@H](OC(=O)c5ccccc5)[C@@](C)(C[C@@]4([H])[C@@]1(O)[C@H](C)[C@H](OC(=O)c1ccccc1)[C@](OC(C)=O)([C@@H]2OC(C)=O)C(C)=C)OC(C)=O)[C@@H]3OC(C)=O
Compound: mexiletine hydrochloride
SMILES: [Cl-].CC([NH3+])COc1c(C)cccc1C
Compound: trigoheterin B
SMILES: [H][C@@]12[C@H](OC(C)=O)[C@@]3(C)O[C@]4([C@@H](OC(=O)c5ccccc5)[C@@H](C)C[C@@]4([H])[C@@]1(O)[C@H](C)[C@H](OC(=O)c1ccccc1)[C@](OC(C)=O)([C@@H]2OC(C)=O)C(C)=C)[C@@H]3OC(C)=O
Compound: trigoheterin C, (rel)-
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(O)[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1
Compound: trigoheterin D, (rel)-
SMILES: [H][C@]12OC3(C)O[C@]1([C@@H](OC(=O)CCc1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](O)[C@](C)(O)[C@@H](O)[C@@]21[H])C(C)=C
Compound: trigoheterin E, (rel)-
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: trigoheteric acid methyl ester, (rel)-
SMILES: [H][C@@]1(CCc2cc(C)c(O)cc2[C@]1(C)CCC(=O)OC)C(C)=C
Compound: trigohetone, (rel)-
SMILES: [H][C@]1(CCC(C)=CC1=O)[C@@](C)(O)CC\C=C(/C)C(O)C(=O)C=C(C)C
Compound: 3,4-seco-sonderianol
SMILES: [H][C@@]1(CCc2c(C=C)c(C)c(O)cc2[C@]1(C)CCC(=O)OC)C(C)=C
Compound: 18-hydroxymanool
SMILES: [H][C@@]12CCC(=C)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)CO
Compound: 1,2-dihydroheudelotinol
SMILES: [H][C@@]12CCc3cc(C)c(O)cc3C=C1CC[C@H](O)C2(C)C
Compound: sandaracopimaradiene-1alpha,9alpha-diol
SMILES: [H][C@@]12CCC3=C[C@](C)(CC[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C
Compound: Mezerein
SMILES: C[C@@H]1[C@@H](OC(=O)\C=C\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C
Compound: trigochinin B
SMILES: [H][C@@]12[C@H](OC(C)=O)[C@@]3(C)O[C@]4([C@@H](OC(C)=O)[C@@H](C)C[C@@]4([H])[C@@]1(O)[C@H](C)[C@H](OC(C)=O)[C@](OC(=O)c1ccccc1)([C@@H]2OC(C)=O)C(C)=C)[C@@H]3OC(=O)c1ccccc1
Compound: trigochinin E
SMILES: [H][C@@]12[C@H](OC(C)=O)[C@@]3(C)O[C@]4([C@@H](OC(C)=O)[C@@H](C)C[C@@]4([H])[C@@]1(O)[C@H](C)[C@H](OC(=O)c1ccccc1)[C@](OC(C)=O)([C@@H]2OC(C)=O)C(C)=C)[C@@H]3OC(=O)c1ccccc1
Compound: 15,17-Epoxy-16-hydroxy macrolactin A
SMILES: [H][C@]12C[C@@H](O)C\C=C/C=C/[C@@H](O)C\C=C\C=C/C(=O)O[C@H](C)CCC\C=C\[C@]([H])(O1)[C@@H]2O
Compound: 18,19-Epoxy macrolactin A
SMILES: [H][C@]12CCC[C@@H](C)OC(=O)\C=C/C=C/C[C@H](O)\C=C\C=C/C[C@H](O)C[C@@H](O)\C=C\[C@]1([H])O2
Compound: 13,17-Epoxy-16-hydroxy macrolactin A
SMILES: [H][C@]12O[C@H](C\C=C/C=C/[C@H](O)C\C=C\C=C/C(=O)O[C@H](C)CCC\C=C\1)C[C@@H](O)[C@H]2O
Compound: JBIR-85
SMILES: [H][C@@]12C[C@@H](C(C)=O)[C@@]34C[C@]1([H])[C@@](OC)(C(=O)O2)C(O)=C3C(=O)c1c(O)cc(OC)c(O)c1C4=O
Compound: Acremostrictin, rel-
SMILES: [H][C@@]12C[C@]3(C)OC(=O)[C@@](O)([C@@H]3C)[C@]1(O)C(=O)C(C)=C2
Compound: Methyl palmitate
SMILES: CCCCCCCCCCCCCCCC(=O)OC
Compound: Methyl stearate
SMILES: C(=O)(OC)CCCCCCCCCCCCCCCCC
Compound: Grassypeptolide D
SMILES: CC[C@H]1NC(=O)[C@@]2(C)CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2)[C@@H](C)O
Compound: mezlocillin
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)c1ccccc1)C(O)=O
Compound: Grassypeptolide E
SMILES: CC[C@H]1NC(=O)[C@@]2(C)CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2)[C@@H](C)O
Compound: Ibu-epidemethoxylyngbyastatin 3
SMILES: CCC[C@H]1NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@@H](OC(=O)[C@H]1C)[C@@H](C)CC
Compound: Dolastatin 12
SMILES: CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O
Compound: Grassypeptolide F
SMILES: CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC1=N2)C(C)C
Compound: Grassypeptolide G
SMILES: CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC(=N2)[C@@H](C)NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC1=O
Compound: (S)-3,7-dihydroxychroman-4-one
SMILES: O[C@H]1COc2cc(O)ccc2C1=O
Compound: brazilein
SMILES: C=12C(=CC(O)=CC1)OC[C@]3(C2=C4C(C3)=CC(=O)C(=C4)O)O
Compound: 3'-deoxysappanol
SMILES: O[C@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)cc1
Compound: 3'-deoxyepisappanol
SMILES: O[C@@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)cc1
Compound: 3-deoxysappanone B
SMILES: Oc1ccc2C(=O)[C@H](Cc3ccc(O)c(O)c3)COc2c1
Compound: 10,16-Dihydroxyhexadecanoic acid
SMILES: OCCCCCCC(O)CCCCCCCCC(O)=O
Compound: Mibefradil
SMILES: COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Compound: Isopropylidene derivative of sappanol
SMILES: [H][C@@]12OC(C)(C)O[C@@]1(COc1cc(O)ccc21)Cc1ccc(O)c(O)c1
Compound: 3'-deoxysappanone B
SMILES: Oc1ccc(C[C@@]2(O)COc3cc(O)ccc3C2=O)cc1
Compound: protosappanin A
SMILES: Oc1ccc-2c(OCC(=O)Cc3cc(O)c(O)cc-23)c1
Compound: 3,7-dihydroxychromen-4-one
SMILES: Oc1ccc2c(c1)occ(O)c2=O
Compound: fellutamide C
SMILES: CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)NC([C@H](O)CC(N)=O)C(=O)NC(C=O)C(C)C
Compound: fellutamide D
SMILES: CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)NC([C@H](O)CC(N)=O)C(=O)NC(CC(C)C)C=O
Compound: (8R)-3beta,8-dihydroxypolypoda-13E,17E,21-triene
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C
Compound: tumonoic acid A
SMILES: CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
Compound: tumonoic acid B
SMILES: CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(O)=O
Compound: tumonoic acid C
SMILES: CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H](C(C)C)C(=O)O[C@@H](C)C(O)=O
Compound: Michelenolide
SMILES: C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]3O[C@]3(C)CC[C@H]1O2
Compound: tumonoic acid E
SMILES: CCCCC(C)\C=C(/C)[C@H](O)[C@H](C)C(=O)N1CCC[C@H]1C(O)=O
Compound: tumonoic acid F
SMILES: CCCCCCCCC(C)[C@H](OC(C)=O)[C@H](C)C(=O)N1CCC[C@H]1C(O)=O
Compound: tumonoic acid G
SMILES: CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(O)=O
Compound: methyl tumonoate A
SMILES: CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC
Compound: methyl tumonoate B
SMILES: CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(=O)OC
Compound: ethyl tumonoate A
SMILES: CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCC
Compound: fatsicarpain A
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
Compound: fatsicarpain B
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@H](OS(O)(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
Compound: fatsicarpain C
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
Compound: fatsicarpain D
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Compound: Micheliolide
SMILES: CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
Compound: fatsicarpain E
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
Compound: fatsicarpain F
SMILES: CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]12)C(O)=O
Compound: fatsicarpain G
SMILES: CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]42C)[C@@H]3C1
Compound: 3alpha-hydroxyolean-11,13(18)-dien-28-oic acid
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
Compound: 3alpha-hydroxyolean-11-en-28,13beta-olide
SMILES: CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3C1
Compound: caerulomycin F
SMILES: COc1cc(CO)nc(c1)-c1ccccn1
Compound: caerulomycin G
SMILES: COc1cc(CO)nc(-c2ccccn2)c1OC
Compound: caerulomycin H
SMILES: O\N=C\c1cc(O)cc(n1)-c1ccccn1
Compound: caerulomycin I
SMILES: CONC(=O)c1cc(OC)cc(n1)-c1ccccn1
Compound: caerulomycin J
SMILES: CC(=O)NCc1cc(O)cc(n1)-c1ccccn1
Compound: caerulomycin K
SMILES: COc1cc(\C=N\O)nc(c1)-c1ccccc1
Compound: caerulomycin A
SMILES: COc1cc(\C=N\O)nc(c1)-c1ccccn1
Compound: caerulomycin C
SMILES: COc1cc(\C=N\O)nc(-c2ccccn2)c1OC
Compound: caerulomycinamide
SMILES: COc1cc(nc(c1)-c1ccccn1)C(N)=O
Compound: caerulomycinonitrile
SMILES: COc1cc(nc(c1)-c1ccccn1)C#N
Compound: (Z)-4-methoxy-2,2-bipyridine-6-carbaldehyde oxime
SMILES: COc1cc(\C=N/O)nc(c1)-c1ccccn1
Compound: falcarindiol
SMILES: CCCCCCC\C=C/[C@H](O)C#CC#C[C@@H](O)C=C
Compound: pinusolide
SMILES: [H][C@@]12CCC(=C)[C@H](CCC3=CCOC3=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC
Compound: sandaracopimaradienediol
SMILES: [H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]1([H])[C@](C)(CO)[C@@H](O)CC[C@]21C
Compound: sandaracopimaradienolal
SMILES: [H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]1([H])[C@](C)(C=O)[C@@H](O)CC[C@]21C
Compound: sandaracopimaric acid
SMILES: C([C@]1(C)CCC[C@]2([C@]1(CCC=3[C@@]2(CC[C@](C)(C=C)C3)[H])[H])C)(O)=O
Compound: totarol
SMILES: [H][C@@]12CCc3c(C(C)C)c(O)ccc3[C@@]1(C)CCCC2(C)C
Compound: Pyridinopyrone A
SMILES: C=1N=CC(/C=C/C=C(/C=C/C=C/C=2OC(C=C(C2)OC)=O)\C)=CC1
Compound: Pyridinopyrone B
SMILES: C=1N=CC(/C=C/C=C(/C=C/C=C/C=2OC(C(=C(C2)OC)C)=O)\C)=CC1
Compound: Pyridinopyrone C
SMILES: C=1N=CC(/C=C/C=C/C=C(/C=C/C=2OC(C(=C(C2)OC)C)=O)\C)=CC1
Compound: 5-(3-hydroxypropyl)-2-(2-methoxy-4-hydroxyphenyl)benzofuran
SMILES: COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1
Compound: (-)-larreatricin
SMILES: C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Compound: meso-3,3'-didemethoxynectandrin B
SMILES: C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Compound: (2S,3S)-2,3-dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
SMILES: C\C=C\c1ccc2O[C@@H]([C@H](CO)c2c1)c1ccc(O)cc1
Compound: 2-(2-hydroxy-4-methoxyphenyl)-5-(3-hydroxypropyl)benzofuran
SMILES: COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1
Compound: microcystin-LR
SMILES: C([C@H](OC)[C@@H](C)/C=C(\C)/C=C/[C@@]1(NC([C@H](CCCNC(=N)N)NC([C@H]([C@H](C(O)=O)NC([C@H](CC(C)C)NC([C@@H](C)NC(C(N(C(CC[C@@H](NC([C@H]1C)=O)C(O)=O)=O)C)=C)=O)=O)=O)C)=O)=O)[H])C=2C=CC=CC2
Compound: 2-(2,4-dihydroxyphenyl)-5-(E)-propenylbenzofuran
SMILES: C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O
Compound: (+)-conocarpan
SMILES: C\C=C\c1ccc2O[C@@H]([C@@H](C)c2c1)c1ccc(O)cc1
Compound: 2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
SMILES: C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1
Compound: rataniaphenol III
SMILES: COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1
Compound: rataniaphenol I
SMILES: COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1
Compound: rataniaphenol II
SMILES: C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1
Compound: nigerapyrone A
SMILES: COc1cc(oc(=O)c1)-c1cc(C)cc(C)c1-c1ccccc1
Compound: nigerapyrone B
SMILES: COc1cc(oc(=O)c1C)-c1cc(C)cc(C)c1-c1ccccc1
Compound: nigerapyrone C
SMILES: COc1cc(\C=C\C(C)=C\C(C)=O)oc(=O)c1
Compound: nigerapyrone D
SMILES: COc1cc(\C=C\C(C)=C\C(C)=O)oc(=O)c1C
Compound: Microhelenin A
SMILES: C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]23CO[C@H](CC2=O)[C@@H]13
Compound: nigerapyrone E
SMILES: COc1cc(\C=C\C(C)=O)oc(=O)c1C
Compound: asnipyrone B
SMILES: COc1cc(\C=C\C(C)=C\C(C)=C\c2ccccc2)oc(=O)c1
Compound: asnipyrone A
SMILES: COc1cc(\C=C\C(C)=C\C(C)=C\c2ccccc2)oc(=O)c1C
Compound: nigerapyrone F
SMILES: COc1cc(\C=C\C(C)=C\C(C)=C/c2ccccc2)oc(=O)c1
Compound: nigerapyrone G
SMILES: COc1cc(\C=C\C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1
Compound: nigerapyrone H
SMILES: COc1cc(\C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1
Compound: Herdmanine A
SMILES: NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2c[nH]c3ccccc23)cc1)C(O)=O
Compound: Herdmanine B
SMILES: NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2c[nH]c3cc(O)ccc23)cc1)C(O)=O
Compound: Herdmanine C
SMILES: NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1)C(O)=O
Compound: Herdmanine D
SMILES: N[C@@H](Cc1ccc(OC(=O)c2c[nH]c3cc(Br)c(O)cc23)cc1)C(O)=O
Compound: Microhelenin C
SMILES: C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
Compound: Inflatin A
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4(C)CO[C@@H](O[C@]4([H])CC[C@]3(C)[C@]11CC[C@](O)(CO)[C@]([H])(C2)C1)c1ccc(O)cc1
Compound: Inflatin B
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4(C)CO[C@@H](O[C@]4([H])CC[C@]3(C)[C@]11CC[C@](O)(COC(C)=O)[C@]([H])(C2)C1)c1ccc(O)cc1
Compound: Inflatin C
SMILES: COc1cc(=O)oc2[C@H](C)[C@H](C)O[C@@H](O)c12
Compound: Inflatin D
SMILES: [H][C@]1(O[C@@H](C)[C@@H](C)c2oc(=O)cc(OC)c12)O[C@@H]1O[C@@H](C)[C@@H](C)c2oc(=O)cc(OC)c12
Compound: Inflatin E
SMILES: [H][C@]1(O[C@@H](C)[C@H](C)c2oc(=O)cc(OC)c12)O[C@@H]1O[C@@H](C)[C@@H](C)c2oc(=O)cc(OC)c12
Compound: Inflatin F
SMILES: [H][C@]1(O[C@@H](C)[C@H](C)c2oc(=O)cc(OC)c12)O[C@@H]1O[C@@H](C)[C@H](C)c2oc(=O)cc(OC)c12
Compound: aphidicolin-17-monoacetate
SMILES: [H][C@@]12CC[C@@]3([H])[C@](C)(CO)[C@H](O)CC[C@]3(C)[C@]11CC[C@](O)(COC(C)=O)[C@]([H])(C2)C1
Compound: isochlamydosporol
SMILES: COc1cc(=O)oc2[C@@H](C)[C@H](C)O[C@@H](O)c12
Compound: coscinoquinol, (rel)-
SMILES: [H][C@@]12CC=C(C)[C@H](C\C=C(\C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
Compound: 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol
SMILES: [H][C@@]12CC=C(C)[C@H](C\C=C(/C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
Compound: Microlenin
SMILES: C[C@@H]1C[C@H]2OC(=O)[C@@]3(C[C@H]4CC(=O)[C@@]33C[C@H]5[C@@H](C[C@@H](C)[C@H]43)OC(=O)C5=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
Compound: halisulfate 1, (rel)-
SMILES: [Na+].[H][C@@]12CC=C(C)[C@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
Compound: sodium(2R,3R,E)-9-(2,5-dihydroxyphenyl)-3,7-dimethyl-1-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)non-7-en-2-yl sulfate
SMILES: [Na+].[H][C@@]12CCC(=C)[C@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
Compound: sodium(2R,3R,Z)-9-(2,5-dihydroxyphenyl)-3,7-dimethyl-1-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)non-7-en-2-yl sulfate
SMILES: [Na+].[H][C@@]12CC=C(C)[C@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C/Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
Compound: Halisulfate 2
SMILES: [Na+].C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O
Compound: Suvanine
SMILES: CN(C)C(N)=N.[H][C@@]12CC[C@]3(C)[C@@H](CCc4ccoc4)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: suvanine's sodium salt
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCc4ccoc4)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CC(=O)O[C@@H]4O)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CC(=O)OC4)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=C[C@@H](OC)OC4=O)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=C[C@H](OC)OC4=O)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: Micromelin
SMILES: COc1cc2oc(=O)ccc2cc1[C@@H]1OC(=O)[C@@]2(C)O[C@@H]12
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=C[C@H](OC)O[C@@H]4OC)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CC[C@]4(O)[C@@H](O)[C@H](OC)O[C@@H]4OC)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
SMILES: [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CCNC4=O)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O
Compound: viridaphin A1 glucoside
SMILES: C[C@@H]1Cc2c3O[C@@]4(O)[C@@H](C)O[C@H](C)c5c4c4c6c(cc(=O)c(c(O)c2[C@@H](C)O1)c36)oc1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(c41)c5=O
Compound: 3-(3,4-dimethoxyphenyl)-4-[(Z)-3,4-dimethoxystyryl]cyclohex-1-ene
SMILES: COc1ccc(\C=C/C2CCC=CC2c2ccc(OC)c(OC)c2)cc1OC
Compound: 3-(3,4-dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene
SMILES: COc1ccc(\C=C\C2CCC=CC2c2ccc(OC)c(OC)c2)cc1OC
Compound: Swerilactone L, (rel)-
SMILES: C[C@@H]1O[C@@H](CC(C)=O)C2=C(CCOC2=O)C1=O
Compound: Swerilactone M
SMILES: C[C@H](O)c1cc(cc2C(=O)OCCc12)C(C)=O
Compound: Swerilactone N
SMILES: CC(=O)C[C@H](O)c1cccc2C(=O)OCCc12
Compound: Swerilactone O
SMILES: CC(=O)\C=C\c1cccc2C(=O)OCCc12
Compound: Paecilocin A
SMILES: CCCCCCCC[C@@H]1OC(=O)c2c(O)cccc12
Compound: Paecilocin B, (rel)-
SMILES: CCCCCCCC[C@]1(OC)O[C@H](OC)c2c(O)cccc12
Compound: Paecilocin C, (rel)-
SMILES: CCCCCCCC[C@]1(OC)O[C@@H](OC)c2c(O)cccc12
Compound: Paecilocin D
SMILES: CCCCCCC[C@@H]1[C@@H](O)c2c(O)cccc2C1=O
Compound: cinnamtannin B-1
SMILES: O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: cinnamtannin D-1
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: parameritannin A-1
SMILES: O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)c([C@@H]3[C@@H](O)[C@H](Oc5cc(O)cc(O)c35)c3ccc(O)c(O)c3)c3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: cassiatannin A
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)c([C@@H]3[C@@H](O)[C@H](Oc5cc(O)cc(O)c35)c3ccc(O)c(O)c3)c3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: Leubethanol
SMILES: [H][C@]1(CC[C@@H](C)c2c(O)cc(C)cc12)[C@@H](C)CCC=C(C)C
Compound: Operculinoside A
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@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@]([H])([C@H](O)C[C@@]32C)[C@]2(C)CC[C@](CO)(O2)C(C)C)C1(C)C
Compound: midazolam
SMILES: C1(=NCC=2N(C=3C1=CC(=CC3)Cl)C(=NC2)C)C=4C=CC=CC4F
Compound: Operculinoside B
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@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@]([H])([C@H](O)C[C@@]32C)[C@]2(C)CC[C@](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(O2)C(C)C)C1(C)C
Compound: Operculinoside C
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@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@]([H])([C@H](O)C[C@@]32C)[C@]2(C)CC[C@H](O2)C(C)(C)O)C1(C)C
Compound: Operculinoside D
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@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@]([H])([C@H](O)C[C@@]32C)[C@]2(C)CC[C@H](O2)C(C)(C)O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C
Compound: tsangibeilin A, rac-
SMILES: [H][C@]12C[C@@]3([H])[C@H](CCCc4ccc5OCOc5c4)[C@@]4([H])C=C[C@@]([H])([C@@H](C=C1)C(O)=O)[C@]2([H])[C@@]34[H]
Compound: tsangibeilin B, rel-
SMILES: [H][C@]12C[C@@]3([H])[C@H](Cc4ccc5OCOc5c4)[C@@]4([H])C=C[C@@]([H])([C@@H](C=C1)C(O)=O)[C@]2([H])[C@@]34[H]
Compound: endiandramide A
SMILES: [H][C@]12C[C@@]3([H])[C@H](Cc4ccc5OCOc5c4)[C@@]4([H])C=C[C@@]([H])([C@@H](C=C1)C(=O)NCC(C)C)[C@]2([H])[C@@]34[H]
Compound: endiandric acid K, rel-
SMILES: [H][C@]12C[C@@]3([H])[C@H](CCCc4ccc5OCOc5c4)[C@@]4([H])[C@]([H])(C=C[C@@]1([H])[C@@]34[H])[C@@H]2C(O)=O
Compound: endiandric acid L, rel-
SMILES: [H][C@@]12C[C@@]3([H])[C@H](CCCCCc4ccc5OCOc5c4)[C@]4([H])[C@@]([H])(C=C[C@@]1([H])[C@@]34[H])[C@@H]2\C=C\C(O)=O
Compound: endiandramide B, rel-
SMILES: [H][C@]12C[C@@]3([H])[C@H](CCCc4ccc5OCOc5c4)[C@@]4([H])[C@]([H])(C=C[C@@]1([H])[C@@]34[H])[C@@H]2C(=O)NCC(C)C
Compound: beilschminol A, rel-
SMILES: COc1cc(cc(O)c1OC)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(OC)c2OCOc2c1
Compound: midazolam hydrochloride
SMILES: Cl.C1(=NCC=2N(C=3C1=CC(=CC3)Cl)C(=NC2)C)C=4C=CC=CC4F
Compound: tsangin C
SMILES: COc1cc(cc(OC)c1OC)[C@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H](C)C(C)=O
Compound: 6beta-hydroxystigmast-4-en-3-one
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C
Compound: rel-(7R,8R,7'R,8'R)-3',4'-methylenedioxy-3,4,5,5'-tetramethoxy-7,7'-epoxylignan
SMILES: COc1cc(cc(OC)c1OC)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(OC)c2OCOc2c1
Compound: rel-(7R,8R,7'R,8'R)-3,4,3',4'-dimethylene-dioxy-5,5'-dimethoxy-7,7'-epoxylignan
SMILES: COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(OC)c2OCOc2c1
Compound: rel-(7S,8S,7'R,8'R)-3,3',4,4',5,5'-hexamethoxy-7.O.7',8.8'-lignan
SMILES: COc1cc(cc(OC)c1OC)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1cc(OC)c(OC)c(OC)c1
Compound: (1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
SMILES: C[C@@H]1C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O
Compound: (1R,5R,6S,7S,8S,10R,11S)-6-hydroxy-4-oxopseudoguai-2(3)-en-12,8-olide
SMILES: C[C@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2O)OC1=O
Compound: (1S,5S,7R,8S,10R)-14-acetoxy-4-oxopseudoguai-11(13)-en-12,8-olide
SMILES: CC(=O)OC[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O
Compound: (1S,2R,5R,6S,7S,8S,10R)-6-hydroxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
SMILES: CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O
Compound: (1S,2R,5R,6S,7S,8S,10R)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
SMILES: CCO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O
Compound: midodrine
SMILES: COc1ccc(OC)c(c1)C(O)CNC(=O)CN
Compound: (1S,2R,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
SMILES: CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O
Compound: (1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
SMILES: CO[C@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O
Compound: (1S,5R,6S,7S,8S,10R,11R)-6-hydroxy-4-oxopseudoguai-12,8-olide
SMILES: C[C@@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@H]2O)OC1=O
Compound: 4beta,10alpha-dihydroxy-5alphaH-guai-1(2),11(13)-dien-12,8alpha-olide
SMILES: C[C@]1(O)CC=C2[C@H]1C[C@H]1[C@H](C[C@@]2(C)O)OC(=O)C1=C
Compound: 2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide
SMILES: CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2[C@H]1C(C)=C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O
Compound: aromaticin
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O
Compound: 8-epihelenalin
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
Compound: bigelovin
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O
Compound: graveolide
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O
Compound: carpesiolin
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1CCC2=O
Compound: ergolide
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1CCC2=O
Compound: 6alpha-acetoxyisoinuviscolide
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)C=C(C)[C@H]2CC[C@@](C)(O)[C@H]12
Compound: burrodin
SMILES: C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1[C@@H](O)CC2=O
Compound: 8-epiinuviscolide
SMILES: C[C@@]1(O)CC[C@H]2[C@H]1C[C@H]1[C@@H](CC2=C)OC(=O)C1=C
Compound: inuviscolide
SMILES: C[C@@]1(O)CC[C@H]2[C@H]1C[C@H]1[C@H](CC2=C)OC(=O)C1=C
Compound: inuchinenolide C
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)[C@@H]12)OC(C)=O
Compound: 4-epiisoinuviscolide
SMILES: CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
Compound: inuchinenolide B
SMILES: CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](CC(C)=C12)OC(=O)C3=C
Compound: mitchellene A
SMILES: C[C@@H]1[C@H]2CC[C@@](C)(O)[C@@H]3CC=C4[C@H]([C@@H]1OC4=O)[C@H]23
Compound: Miglitol
SMILES: OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Compound: mitchellene B
SMILES: C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3CC=C4[C@H]([C@@H]1OC4=O)[C@H]23
Compound: mitchellene C
SMILES: C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3C=C[C@@]4(O)[C@H]([C@@H]1OC4=O)[C@H]23
Compound: mitchellene D
SMILES: C[C@H]([C@H]1CC[C@H](C)[C@@H]2CCC(=C[C@H]12)C(O)=O)C(O)=O
Compound: mitchellene E
SMILES: C[C@H]([C@H]1CC[C@H](C)[C@@H]2CCC(CO)=C[C@H]12)C(O)=O
Compound: 14-hydroxy-6,12-muuroloadien-15-oic acid
SMILES: C[C@H]1CC[C@@H]([C@H]2C=C(CC[C@@H]12)C(O)=O)C(=C)CO
Compound: casticin
SMILES: COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
Compound: centaureidin
SMILES: COc1ccc(cc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Compound: skimmiarepin A
SMILES: [H][C@@]1(C[C@]([H])(C(O)O1)[C@]1([H])CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)C(C)(C)[C@]2([H])C[C@@H](O)[C@@]31C)[C@]1([H])OC1(C)C
Compound: skimmiarepin C
SMILES: [H][C@@]1(C[C@]([H])(C(O)O1)[C@]1([H])CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@]2([H])C[C@@H](O)[C@@]31C)[C@]1([H])OC1(C)C
Compound: Tritoniopsin A, rel-
SMILES: [H][C@]12C\C(C)=C\CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H]
Compound: Mikanolide
SMILES: C[C@]12C[C@@H]3OC(=O)C(=C)[C@H]3[C@@H]3OC(=O)C(=C3)[C@H]3O[C@H]3[C@@H]1O2
Compound: Tritoniopsin B, rel-
SMILES: [H][C@]12CC(=C)[C@H](CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H])OO
Compound: Tritoniopsin C, rel-
SMILES: [H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H]
Compound: Tritoniopsin D
SMILES: [H][C@]12CC(=C)[C@H](CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H])OC(C)=O
Compound: 16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid
SMILES: C[C@@]1(CO)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Compound: methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
SMILES: COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]3C[C@](C)(CO)CC[C@@]3(CC[C@@]21C)C(O)=O)C(C)(O)CO
Compound: 3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3-O-[2,3-di-O-acetyl-alpha-L-arabinopyranosyl]-hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](OC(C)=O)[C@H]8OC(C)=O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: 3-O-[3,4-di-O-acetyl-alpha-L-arabinopyranosyl]hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: nipponogenin E
SMILES: C[C@@]1(CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Compound: 3beta,6beta,23-trihydroxyolean-12-en-28-oic acid
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
Compound: Millettone
SMILES: CC1(C)Oc2ccc3C(=O)[C@@H]4[C@@H](COc5cc6OCOc6cc45)Oc3c2C=C1
Compound: kalopanaxsaponin A
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O
Compound: kalopanaxsaponin B
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: kalopanaxsaponin C
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: sieboldianoside A
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: dipsacussaponin A
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Compound: cauloside D
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Cephalostatin 1
SMILES: [H][C@@]12CC[C@@]3([H])C4=C[C@]5([H])O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)Cc1nc3C[C@]4([H])CC[C@@]5([H])C6=CC[C@]7([H])[C@H](C)[C@@]8(OC[C@]67C(=O)C[C@]5([H])[C@@]4(C)Cc3nc1C2)OC(C)(C)C[C@H]8O
Compound: hermannioside A
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: hermannioside B
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)-c3ccc(O)cc3)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: quercetin 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: stemofoline
SMILES: [H][C@@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@]24CCCC
Compound: Didehydrostemofoline
SMILES: [H][C@]12C[C@@H]3O[C@@]4(O\C([C@@H](C)[C@]14[H])=C1OC(=O)C(C)=C/1OC)[C@@]1([H])CCN2[C@@]31\C=C\CC
Compound: croomine
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC[C@]2([H])N1CCCC[C@]21C[C@@H](C)C(=O)O1
Compound: tuberostemonine
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@]2([H])[C@@]3([H])[C@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H]
Compound: tuberostemonine A
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@@]1([H])C[C@]2([H])[C@@]3([H])[C@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCC1[C@@]23[H]
Compound: tuberostemonine N
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@]2([H])[C@@]3([H])[C@@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H]
Compound: neotuberostemonine
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@@]2([H])[C@]3([H])[C@H](C)C(=O)O[C@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H]
Compound: protostemonine
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC[C@]2([H])N1CCC[C@@]1([H])O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC
Compound: oxyprotostemonine
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC
Compound: stemocurtisinol
SMILES: [H][C@]1(CC[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@@H](O)CC
Compound: oxystemokerrine
SMILES: [H][C@@]1(CC[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@H](O)CC
Compound: stemocurtisine
SMILES: [H][C@@]12[C@H]3CCCN1CCC[C@@]1(O3)O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC
Compound: stemokerrine
SMILES: [H][C@@]1(CCC[C@]2([H])N1CCC=C1O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC)[C@H](O)CC
Compound: 2'-hydroxystemofoline
SMILES: [H][C@@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@]24C[C@@H](O)CC
Compound: Oxystemokerrine N-oxide
SMILES: [H][C@@]1(CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@H](O)CC
Compound: (5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol
SMILES: [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2CO
Compound: (5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al
SMILES: [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C=O
Compound: (5S,7R, 8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol
SMILES: [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C
Compound: Monanchocidin A, rel-
SMILES: [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23
Compound: Monanchocidin B, rel-
SMILES: [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23
Compound: 10-Deoxygeniposide tetraacetate
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]2[C@@H]1CC=C2C
Compound: Monanchocidin C, rel-
SMILES: [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23
Compound: Monanchocidin D, rel-
SMILES: [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23
Compound: Monanchocidin E, rel-
SMILES: [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23
Compound: carbonarone A
SMILES: O1C=C(C(C=C1CC2=CC=CC=C2)=O)C(=O)N
Compound: pestalamide A
SMILES: C1=CC=CC(CC2=CC(C(=CO2)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)=C1
Compound: 3-Carbomethoxy-6-benzyl-4-pyrone
SMILES: COC(=O)c1coc(Cc2ccccc2)cc1=O
Compound: (S)-methyl 4-(6-benzyl-4-oxo-4H-pyran-3-carboxamido)-2-methyl-4-oxobutanoate
SMILES: COC(=O)[C@@H](C)CC(=O)NC(=O)c1coc(Cc2ccccc2)cc1=O
Compound: pestalamide B
SMILES: C(C1=CC(C(=CN1)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)C=2C=CC=CC2
Compound: nygerone A
SMILES: C=1C=C(C=CC1)CC2=CC(C(C(=O)NC(C[C@@H](C(O)=O)C)=O)=CN2C3=CC=CC=C3)=O
Compound: nygerone B
SMILES: C=1C=C(C=CC1)CC2=CC(C(C(=O)N)=CN2C3=CC=CC=C3)=O
Compound: (-)-minovincinine
SMILES: [C@@]123CCN4[C@]3([C@](CC(=C2NC5=C1C=CC=C5)C(OC)=O)(CCC4)[C@H](O)C)[H]
Compound: p-fluoro nygerone B
SMILES: C1=CC=CC(CC2=CC(C(=CN2C3=CC=C(C=C3)F)C(=O)N)=O)=C1
Compound: chaxalactin A, (rel)-
SMILES: CC\C=C\[C@H]1C\C=C\C=C/[C@H](O)C[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1
Compound: chaxalactin B, rel-
SMILES: CC\C=C\[C@H]1C\C=C\C=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1
Compound: chaxalactin C, rel-
SMILES: CC\C=C\[C@H]1C\C=C\C=C/[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1
Compound: hygromycin A
SMILES: [H][C@@]1(O[C@@H](Oc2ccc(\C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)C(C)=O
Compound: 5''-dihydrohygromycin A
SMILES: [H][C@@]1(O[C@@H](Oc2ccc(\C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)[C@H](C)O
Compound: (-)-7-bromohomotrypargine
SMILES: NC(=N)NCCCC[C@@H]1NCCc2c1[nH]c1cc(Br)ccc21
Compound: opacaline A
SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12
Compound: opacaline B
SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3n(O)c12
Compound: opacaline C
SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12
Compound: minoxidil
SMILES: Nc1cc(nc(N)[n+]1[O-])N1CCCCC1
Compound: Polysiphenol
SMILES: Oc1cc2CCc3cc(O)c(O)c(Br)c3-c2c(Br)c1O
Compound: 5,5'-(ethane-1,2-diyl)bis(3-bromobenzene-1,2-diol)
SMILES: Oc1cc(CCc2cc(O)c(O)c(Br)c2)cc(Br)c1O
Compound: actinopolysporin A
SMILES: COC(=O)C(\C)=C\C(C)CC(C)CC(C)(O)C(C)O
Compound: actinopolysporin B
SMILES: COC(=O)C(\C)=C\C(C)CC(C)CC(C)(O)CC(C)O
Compound: actinopolysporin C
SMILES: CCC(=O)C(\C)=C\C(C)CC(C)CC(C)(O)CC
Compound: cordysinin A
SMILES: CC(C)C[C@@H]1NC(=O)[C@@H]2CC[C@@H](O)N2C1=O
Compound: cordysinin B
SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Compound: cordysinin C
SMILES: C[C@@H](O)c1nccc2c3ccccc3[nH]c12
Compound: cordysinin D
SMILES: C[C@H](O)c1nccc2c3ccccc3[nH]c12
Compound: cordysinin E
SMILES: OC[C@H](O)Cc1nccc2c3ccccc3[nH]c12
Compound: Miotine
SMILES: CNC(=O)Oc1cccc(c1)C(C)N(C)C
Compound: (17R)-17-methylincisterol
SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC(=O)O[C@]3(CC[C@]12C)OC)[C@H](C)\C=C\[C@H](C)C(C)C
Compound: ergosta-4,6,8(14),22-tetraen-3-one
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: fungisterol
SMILES: CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: beta-sitosterol 3-O-acetate
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)OC(C)=O)C(C)C
Compound: stigmasterol 3-O-acetate
SMILES: CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
Compound: 4,4-dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol
SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
Compound: 3-O-feruloylcycloartenol
SMILES: COc1cc(ccc1O)\C=C\C(=O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]2CC[C@H]3C1(C)C)C(C)CCC=C(C)C
Compound: orobol
SMILES: Oc1cc(O)c2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Compound: 3-hydroxy-2-methyl-4-pyrone
SMILES: C1(=C(C(C=CO1)=O)O)C
Compound: cyclo(L-Pro-L-Val)
SMILES: [H][C@@]12CCCN1C(=O)[C@@H](NC2=O)C(C)C
Compound: Mirasan
SMILES: CCN(CC)CCNc1ccc(C)c(Cl)c1
Compound: cyclo(L-Phe-L-Pro)
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O
Compound: p-methoxyphenol
SMILES: COc1ccc(O)cc1
Compound: flazin
SMILES: OCc1ccc(o1)-c1nc(cc2c3ccccc3[nH]c12)C(O)=O
Compound: perlolyrine
SMILES: OCc1ccc(o1)-c1nccc2c3ccccc3[nH]c12
Compound: 1-methyluracil
SMILES: Cn1ccc(=O)[nH]c1=O
Compound: diplotrin A
SMILES: COc1cc(O)c(cc1O)-c1oc2c(OC)c(OC)ccc2c(=O)c1OC
Compound: diplotrin B
SMILES: COc1ccc(cc1O)-c1oc2c(OC)c(OC)ccc2c(=O)c1OC
Compound: diplotrin C
SMILES: COc1ccc2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O
Compound: Miraxanthin-I
SMILES: CS(=O)CCC(\N=C/C=C1CC(NC(=C\1)C(O)=O)C(O)=O)C(O)=O
Compound: diplotasin
SMILES: COc1ccc-2c(COc3c-2oc2c(OC)c(OC)ccc2c3=O)c1O
Compound: 5''-methoxyhydnocarpin-D
SMILES: COc1cc(cc(OC)c1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: 7,3',4'-trihydroxy-3,8-dimethoxyflavone
SMILES: COc1c(O)ccc2c1oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Compound: 2'-hydroxy-3,7,8,4',5'-pentamethoxyflavone
SMILES: COc1ccc2c(oc(-c3cc(OC)c(OC)cc3O)c(OC)c2=O)c1OC
Compound: hernancorizin
SMILES: COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O
Compound: 5,3'-di-O-methylluteolin
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(OC)cc(O)cc2o1
Compound: quercetin-3-O-beta-D-xylopyranoside
SMILES: O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: quercetin-3-O-alpha-D-arabinofuranoside
SMILES: OC[C@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O
Compound: myricetin-3-O-beta-D-xylopyranoside
SMILES: O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O
Compound: myricetin-3-O-arabinofuranoside
SMILES: OC[C@H]1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O
Compound: Miraxanthin-II
SMILES: OC(=O)CC(\N=C/C=C1CC(NC(=C\1)C(O)=O)C(O)=O)C(O)=O
Compound: irciformonin B
SMILES: C\C(C[C@H](O)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/CCc1ccoc1
Compound: ircinolin A
SMILES: C\C(CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/[C@@H](O)C\C(C)=C\CCCC(=O)CO
Compound: 15-acetylirciformonin B
SMILES: CC(=O)O[C@H](CC\C(C)=C\[C@@H](O)C\C(C)=C\CCc1ccoc1)[C@]1(C)CCC(=O)O1
Compound: 10-acetylirciformonin B
SMILES: CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1
Compound: irciformonin F
SMILES: CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](OC(C)=O)[C@]1(C)CCC(=O)O1
Compound: (2R,3S)-sulfated pterosin C, (+)-
SMILES: C[C@@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O
Compound: (2S,3S)-sulfated pterosin C
SMILES: C[C@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O
Compound: (2S,3S)-pterosin C
SMILES: C[C@H]1[C@H](O)c2cc(C)c(CCO)c(C)c2C1=O
Compound: (2R)-pterosin P
SMILES: C[C@@H]1Cc2cc(CO)c(CCO)c(C)c2C1=O
Compound: purpurquinone A
SMILES: C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)[C@@H](O)O1
Compound: Miraxanthin-III
SMILES: OC(=O)C1CC(\C=C(N1)C(O)=O)=C/C=N\CCc1ccc(O)cc1
Compound: purpurquinone B
SMILES: C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(O)cc(O)c(O)c3C)C(=O)[C@@]2(O)[C@@H](O)O1
Compound: purpurquinone C
SMILES: C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)CO1
Compound: purpurester A
SMILES: CCC[C@]1(OC)OC(=O)c2c1cc(O)c(O)c2C
Compound: purpurester B
SMILES: CC\C=C1/OC(=O)c2c1cc(O)c(O)c2C
Compound: 2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione
SMILES: CC1=C(O)C(=O)c2cc(O)c(O)cc2C1=O
Compound: TAN-931
SMILES: OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C=O)c1
Compound: 3',4'-dihydroxyisoflavone
SMILES: Oc1ccc(cc1O)-c1coc2ccccc2c1=O
Compound: cannabigerol
SMILES: C1(=C(C=C(CCCCC)C=C1O)O)C/C=C(/CCC=C(C)C)\C
Compound: cannabidiol
SMILES: [H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCCCC)C=C1O)C(C)=C
Compound: sesquicannabigerol
SMILES: CCCCCc1cc(O)c(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1
Compound: Miraxanthin-V
SMILES: OC(=O)C1CC(=C\C=N/CCc2ccc(O)c(O)c2)/C=C(N1)C(O)=O
Compound: 2-methyl-6-pentadecyl-2,3,4,5-tetrahydropyridine
SMILES: CCCCCCCCCCCCCCCC1=NC(C)CCC1
Compound: Solacongestidine
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)C5=NC[C@H](C)CC5)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
Compound: Thailandepsin A
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O
Compound: Thailandepsin B
SMILES: CCCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)[C@@H](C)CC
Compound: Spiruchostatin C
SMILES: [H][C@@]1(NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCS(C)=O)C(=O)N2)OC(=O)C[C@@H]1O)[C@@H](C)CC
Compound: (+)-Ganodone
SMILES: CC(=O)c1ccc(OC2Cc3c(O2)ccc(C(C)=O)c3O)cc1O
Compound: Smardaesidin A, (rel)-
SMILES: [H][C@]12[C@H](CO)[C@@]1(C)CC[C@@]1(O)[C@]22OC(=O)[C@@]11CCCC(C)(C)[C@]1([H])C(=O)[C@@H]2O
Compound: Smardaesidin B, (rel)-
SMILES: [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(CO)[C@H](O)CCC2(C)C)C=C
Compound: Smardaesidin C, (rel)-
SMILES: [H][C@@]12C[C@]3(O)OC[C@@]1([C@H](O)CCC2(C)C)[C@@]1(O)CC[C@](C)(C=C)C=C31
Compound: miroestrol
SMILES: CC1(C)[C@@H]2C[C@]3(O)CC(=O)[C@](O)([C@@H]2[C@H]3O)C2=COc3cc(O)ccc3[C@@H]12
Compound: Smardaesidin D
SMILES: [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(C)[C@H](O)C[C@H](O)C2(C)C)C=C
Compound: Smardaesidin E, (rel)-
SMILES: [H][C@@]12[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)C[C@H](O)[C@](C)(C=C)C=C1[C@@H]3O
Compound: Smardaesidin F
SMILES: CC1(C)CCCC2=C1C(=O)[C@H](O)[C@]1(O)C[C@](C)(CC[C@]21O)C=C
Compound: Smardaesidin G
SMILES: CC1(C)CC[C@@H](O)C2=C1C(=O)[C@H](O)[C@]1(O)C[C@](C)(CC[C@]21O)C=C
Compound: Sphaeropsidin A
SMILES: [H][C@]12C(C)(C)CCC[C@@]11C(=O)O[C@]2(O)C(=O)C2=C[C@](C)(CC[C@]12O)C=C
Compound: Sphaeropsidin C
SMILES: [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@]1(CCCC2(C)C)C(O)=O)C=C
Compound: Sphaeropsidin D
SMILES: [H][C@]12C(C)(C)CCC[C@@]11C(=O)O[C@]2(O)C(=O)C2=C[C@](C)(C[C@@H](O)[C@]12O)C=C
Compound: Sphaeropsidin E
SMILES: [H][C@@]12C[C@@H](O)C3=C([C@@H](O)C[C@](C)(C=C)[C@@H]3O)[C@@]1(C)CCCC2(C)C
Compound: Sphaeropsidin F
SMILES: [H][C@@]12[C@@H](O)[C@@H](O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(C)[C@H](O)CCC2(C)C)C=C
Compound: Bergenin
SMILES: [H][C@]12OC(=O)c3cc(O)c(OC)c(O)c3[C@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O
Compound: 10-Deoxygeniposidic acid
SMILES: CC1=CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O
Compound: mirtazapine
SMILES: CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Compound: rubiarbonol A 7-acetate
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@H](C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C)OC(C)=O
Compound: rubiyunnanol A
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiyunnanol B
SMILES: CC(C)[C@@H]1CC=C2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: 19,28-didehydroxyrubiarbonol A
SMILES: CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiyunnanol C
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)C3=C([C@H](O)C[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Compound: rubiarbonone E 19-acetate
SMILES: CC(C)[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]21C
Compound: 2-hydroxyrubiarbonone E
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)C(O)=C[C@]4(C)C3=CC[C@]21C
Compound: rubianol-e 3-O-(6'-O-acetyl)-beta-D-glucopyranoside
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C[C@]4(C)C3=CC[C@]21C)OC(C)=O
Compound: rubiarboside G 28-acetate
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Compound: 2alpha-acetoxy-28-acetylrubiarboside G
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C[C@]4(C)C3=CC[C@]21C)OC(C)=O
Compound: miserotoxin
SMILES: OC[C@H]1O[C@@H](OCCC[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: rubiarboside G 28-al
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@]1(CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=O
Compound: rubiarbonol A 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone
SMILES: COc1ccc2C(=O)c3c(O)c(C)c(O)cc3C(=O)c2c1
Compound: 1,3,6-trihydroxy-2-hydroxymethyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2CO)[C@H](O)[C@@H](O)[C@@H]1O
Compound: rubinaphthin A methyl ester
SMILES: COC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O
Compound: (2R,2'R,4R,4'R)-4,4'-dihydroxy-3,3',4,4'-tetrahydro-2,2'-binaphthalene-1,1'(2H,2'H)-dione
SMILES: O[C@@H]1CC([C@H]2C[C@@H](O)c3ccccc3C2=O)C(=O)c2ccccc12
Compound: rubiarbonol K
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiarbonol L
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiarbonol G
SMILES: CC(C)[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone
SMILES: Cc1c(O)cc2C(=O)c3cc(O)ccc3C(=O)c2c1O
Compound: 3-hydroxy-2-hydroxymethyl-9,10-anthraquinone
SMILES: OCc1cc2C(=O)c3ccccc3C(=O)c2cc1O