MonarchInit/C3PO huggingface dataset:
Compound: futokadsurin C
SMILES: COc1ccc(cc1OC)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc2OCOc2c1
Compound: fuzanin D
SMILES: C[C@@H](O)[C@@H](O)\C=C\C=C\c1ncccc1C
Compound: Lycomarasmine B
SMILES: NC(=O)CNC(CN[C@@H](CC(O)=O)C(O)=O)C(O)=O
Compound: gaboroquinone A
SMILES: COc1c(C(C)=O)c(O)cc(O)c1-c1c(CO)cc(O)c2C(=O)c3c(O)cccc3C(=O)c12
Compound: 6-O-galloyl-beta-D-glucose
SMILES: O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Compound: 5-galloylquercetin-3-O-alpha-L-arabinofuranoside
SMILES: OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(C(=O)c4cc(O)c(O)c(O)c4)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: 7-O-galloyltricetiflavan
SMILES: Oc1cc(cc(O)c1O)C1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1
Compound: 7,4'-di-O-galloyltricetiflavan
SMILES: Oc1cc(cc(O)c1O)C(=O)Oc1cc(O)c2CCC(Oc2c1)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1
Compound: ganoderone A
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)CO
Compound: ganoderone C
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CCC1OC1(C)CO
Compound: garciniaxanthone F
SMILES: COC(C)(C)c1cc2ccc3c(oc4c(O)cc(c(O)c4c3=O)C(C)(C)C=C)c2o1
Compound: garciniaxanthone G
SMILES: CC(C)(C=C)c1cc(O)c2oc3c4occc4ccc3c(=O)c2c1O
Compound: garciniaxanthone H
SMILES: COc1c(O)cc(c2oc3c(O)ccc(O)c3c(=O)c12)C(C)(C)C=C
Compound: Lyconnotine
SMILES: COC(=O)C(C)C[C@@]12[C@@H]3CCCN1CC=CC2=CC[C@H]3O
Compound: gaudichaudiic acid F
SMILES: [H][C@]12C[C@]3([H])C(C)(C)O[C@](C\C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1C2OCC)c(O)c1C2C=C(C)CCC2C(C)(C)Oc1c3C(C)(C)C=C
Compound: gaudichaudiic acid G
SMILES: [H][C@]12C[C@]3([H])C(C)(C)O[C@](C\C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1=C2)c(O)c-1c(OC(C)(C)c2ccc(C)cc-12)c3C(C)(C)C=C
Compound: gaudichaudiic acid H
SMILES: [H][C@]12C[C@]3([H])C(C)(C)O[C@](C\C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1C2OC)c(O)c1-c2cc(C)ccc2C(C)(C)Oc1c3C(C)(C)C=C
Compound: gaudichaudiic acid I
SMILES: [H][C@]12C[C@]3([H])C(C)(C)O[C@](C\C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1C2OCC)c(O)c1-c2cc(C)ccc2C(C)(C)Oc1c3C(C)(C)C=C
Compound: gedunin
SMILES: [H][C@@]12C[C@@H](OC(C)=O)[C@]3(C)[C@]([H])(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]1(C)C=CC(=O)C2(C)C
Compound: gelomulide K
SMILES: [H][C@@]12C[C@]3([H])[C@]4(CC[C@]5([H])C(C)(C)C=C[C@@H](OC(C)=O)[C@@]35C)O[C@]4([H])C1=C(C)C(=O)O2
Compound: gelomulide M
SMILES: [H][C@@]12C[C@@]3([H])[C@]4(C)[C@H](OC(C)=O)C=CC(C)(C)[C@@]4([H])C[C@H](OC(C)=O)[C@]33O[C@]3([H])C1=C(C)C(=O)O2
Compound: gelsemiol-6'-trans-caffeoyl-1-glucoside
SMILES: [H][C@]12C[C@H](C)[C@@H](CO[C@@H]3O[C@H](COC(=O)\C=C\c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1([H])[C@H](CO)C(=O)O2
Compound: 3-geranyl-2,4,6-trihydroxybenzophenone
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O
Compound: geumonoid
SMILES: [H][C@@]12CC[C@](CC3=C[C@@]4(C)CCC[C@@](C)(C(O)=O)[C@@]4([H])C=C3)([C@H](C)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)=O
Compound: gibberosin K
SMILES: [H][C@@]12C[C@](C)(C(=O)\C=C\C(C)(C)O)[C@@]1([H])CC\C(C)=C\CCC2=C
Compound: gibberosin L
SMILES: [H][C@@]12C[C@](C)(C(=O)CC=C(C)C)[C@@]1([H])CC\C(C)=C\CCC2=C
Compound: gigantetronenin
SMILES: CCCCCCCCCCCC\C=C/CCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1
Compound: gigantrionenin
SMILES: [H][C@]1(CC[C@@H](CCCCCCCC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@H](O)CC\C=C/CCCCCCCCCCCC
Compound: gilvusmycin
SMILES: COc1c(O)c2N(CCc2c2cc([nH]c12)C(=O)N1CCc2c1c(O)c(OC)c1[nH]c(cc21)C(=O)N1CC2CC22C1=CC(=O)c1[nH]cc(C)c21)C(C)=O
Compound: girolline
SMILES: NC[C@H](Cl)[C@@H](O)c1c[nH]c(N)n1
Compound: glionitrin A
SMILES: CN1C(=O)[C@@]23Cc4ccc(cc4N2C(=O)[C@]1(CO)SS3)[N+]([O-])=O
Compound: glioperazine B
SMILES: CO[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](NC1=O)(SC)[C@@H](C)O
Compound: sodium globostellatate A
SMILES: [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(\C)C(=O)\C=C\C(C)=C\C=C\C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O
Compound: lycopodine
SMILES: [H][C@@]12CCCN3CCC[C@]4([H])C(=O)C[C@@H]1C[C@@H](C)C[C@]234
Compound: sodium globostellatate B
SMILES: [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(\C)C(OC)\C=C\C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O
Compound: sodium globostellatate C
SMILES: [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(C)/C=C/C(OC)C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O
Compound: sodium globostellatate D
SMILES: [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(C)/C=C/C(OC)C(C)(C)O)[C@@]1(C)CC[C@@H](O)[C@]2(C)C([O-])=O
Compound: glochierioside A
SMILES: [H][C@]1(OC[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)C[C@@H](OC(=O)c5ccccc5)[C@]4(CO)[C@@H](O)C[C@@]32C)C1(C)C
Compound: glochierioside B
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)C[C@@H](OC(=O)c5ccccc5)[C@]4(CO)[C@@H](O)C[C@@]32C)C1(C)C
Compound: glomosporin
SMILES: CCCCCCCCCCCCC(C)(O)C1CC(=O)NC(CO)C(=O)N[C@H](C)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N[C@H]([C@@H](C)O)C(=O)O1
Compound: glycyrrhizol A
SMILES: COc1c(CC=C(C)C)c(O)cc2OCc3c(oc4cc(O)c(CC=C(C)C)cc34)-c12
Compound: glycyrrhizol B
SMILES: COc1cc(O)cc2OCc3c(oc4c5C=CC(C)(C)Oc5ccc34)-c12
Compound: gnidilatimonoein
SMILES: [H][C@]12OC3(OC4(C(C)C(OC(=O)\C=C\c5ccccc5)[C@@]1(O3)C(C)=C)C1C=C(C)CC1(O)C(O)C1(CO)OC1C24)\C=C\CCCCCCC
Compound: graminone B
SMILES: [H][C@@]12CO[C@@H](c3cc(O)cc(OC)c3)[C@]1([H])C(=O)O[C@H]2c1cc(O)c(OC)c(OC)c1
Compound: Lycopsamine
SMILES: CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
Compound: grassypeptolide
SMILES: [H][C@@]12CSC(=N1)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@]([H])(NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@]1([H])CSC(=N1)[C@@H](CC)NC2=O)[C@@H](C)O
Compound: GTRI-02
SMILES: CC(=O)c1c(O)cc2CC(O)CC(=O)c2c1C
Compound: guangsangon K
SMILES: CC1=C[C@H]([C@@H]([C@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)ccc([C@H]2Oc3cc(O)ccc3C(=O)[C@@H]2O)c1O
Compound: guangsangon L
SMILES: CC1=C[C@H]([C@@H]([C@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1cc(C=O)c(O)cc1O
Compound: guangsangon M
SMILES: CC1=C[C@H]([C@@H]([C@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1cc([C@H]2CC(=O)c3ccc(O)cc3O2)c(O)cc1O
Compound: guangsangon N
SMILES: CC1=C[C@H]([C@@H]([C@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)c(O)cc1O
Compound: gummiferaoside A
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](C)O[C@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23C[C@H](OC(=O)C(\C)=C\CC[C@](C)(O[C@@H]4O[C@H](C)[C@@H](OC(=O)C(\C)=C\CC[C@@](C)(O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@H](O)[C@H]4O)C=C)C(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@H]1O
Compound: gummiferaoside B
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](C)O[C@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23C[C@H](OC(=O)C(\C)=C\CC[C@](C)(O[C@@H]4O[C@H](C)[C@@H](OC(=O)C(\C)=C\CC[C@@](C)(O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@H](O)[C@H]4O)C=C)C(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@H]1O
Compound: gummiferaoside C
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](C)O[C@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23C[C@H](OC(=O)C(\C)=C\CC[C@](C)(O[C@@H]4O[C@H](C)[C@@H](OC(=O)C(\C)=C\CC[C@@](C)(O[C@@H]5O[C@H](C)[C@@H](OC(=O)C(\C)=C\CC[C@@](C)(O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)C=C)[C@H](O)[C@H]5O)C=C)[C@H](O)[C@H]4O)C=C)C(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@H]1O
Compound: gutolactone
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(=O)C=C(C)C)C(=O)O2
Compound: Lycorenine
SMILES: COc1cc2[C@@H](O)O[C@@H]3CC=C4CCN(C)[C@H]4[C@@H]3c2cc1OC
Compound: Guttiferone A (rel-(+))
SMILES: CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O
Compound: guttiferone F
SMILES: CC(C)=CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C
Compound: gypsosaponin A
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@H](O[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[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@@H](C)[C@H](O[C@]4([H])OC[C@@H](O)[C@H](O[C@]5([H])OC[C@H](O)[C@H](O)[C@H]5O[C@]5([H])OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@]2(C)C=O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O
Compound: gypsosaponin B
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@@H]([C@@H](O)[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@]6([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)OC)[C@@](C)(C=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: gypsosaponin 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](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@]([H])(OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O
Compound: (2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione
SMILES: COc1cc(C)c(O)c(C\C=C(/C)CC(=O)\C=C(\C)CCCC(C)C(=O)C(O)C=C(C)C)c1
Compound: halistanol sulfate F
SMILES: [Na+].[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](OS([O-])(=O)=O)[C@@]4([H])C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC(C)C(C)(C)CC
Compound: halistanol sulfate G
SMILES: [Na+].[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](OS([O-])(=O)=O)[C@@]4([H])C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CC[C@H](C)C(C)C
Compound: halosterol A
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)C[C@@H](CC)C(C)C
Compound: halosterol B
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)C[C@@H](CC)C(C)C
Compound: Lycoricidine
SMILES: O[C@H]1C=C2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](O)[C@@H]1O
Compound: hamacanthin A
SMILES: Brc1ccc2c(c[nH]c2c1)C1CNC(=O)C(=N1)c1c[nH]c2cc(Br)ccc12
Compound: hamacanthin B
SMILES: Brc1ccc2c(c[nH]c2c1)[C@H]1CNC(=O)C(=N1)c1c[nH]c2cc(Br)ccc12
Compound: N-butylharmine
SMILES: CCCCn1c2cc(OC)ccc2c2ccnc(C)c12
Compound: N-ethylharmine
SMILES: CCn1c2cc(OC)ccc2c2ccnc(C)c12
Compound: 6-bromoharmine hydrobromide
SMILES: Br.COc1cc2[nH]c3c(C)nccc3c2cc1Br
Compound: N(2)-methylharmine
SMILES: COc1ccc2c(c1)nc1c(C)n(C)ccc21
Compound: harziphilone
SMILES: C\C=C\C=C\C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](O)C2
Compound: hederacine A
SMILES: [H][C@]12C\C(=C(/C)C(O)=O)[C@](O)(C[C@]3(C)[C@H](N)CC[C@]13C)N2C
Compound: hederacine B
SMILES: [H][C@]12CC3=C(C)C(=O)O[C@@]3(C[C@]3(C)[C@H](N)CC[C@]13C)N2C
Compound: hedychilactone D
SMILES: [H][C@]1(\C=C\C2=CC(=O)OC2)C(C)=C(O)C(=O)[C@@]2([H])C(C)(C)CCC[C@]12C
Compound: lycorine
SMILES: [H][C@]12[C@H](O)[C@@H](O)C=C3CCN(Cc4cc5OCOc5cc14)[C@@]23[H]
Compound: 9-hydroxy hedychenone
SMILES: [H][C@@]12C(=O)C=C(C)[C@](O)(\C=C\c3ccoc3)[C@@]1(C)CCCC2(C)C
Compound: hernandonine
SMILES: O=C1c2ccc3OCOc3c2-c2c3OCOc3cc3ccnc1c23
Compound: herquline B
SMILES: [H][C@]12CN(C)[C@]([H])(CN1)CC1=C[C@]([H])(C(=O)CC1)[C@]1([H])C=C(CCC1=O)C2
Compound: hesseltin A
SMILES: [H][C@]12[C@@H](O)c3c(O[C@]1(C)CC[C@@]1(O)C(C)(C)[C@]4(O)CC[C@]21CO4)oc(cc3=O)\C=C\C=C\C
Compound: hirsutellide A
SMILES: [H][C@]1(NC(=O)[C@@H](Cc2ccccc2)OC(=O)CN(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc2ccccc2)OC(=O)CN(C)C1=O)[C@H](C)CC)[C@H](C)CC
Compound: hispidospermidin
SMILES: [H][C@]12C[C@]34CC[C@@]1(C)O[C@](C)([C@H]2NCCCCN(C)CCCN(C)C)[C@@]3([H])CC[C@H]4C
Compound: holothurin A3
SMILES: [Na+].[H][C@]1(O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](CO[C@@]1([H])O[C@H]1CC[C@]2(C)C3=C[C@H](O)C45C(=O)O[C@@](C)(C(=O)CCC(C)(C)O)[C@@]4(O)CC[C@@]5(C)[C@]3([H])CC[C@@]2([H])C1(C)C)OS([O-])(=O)=O
Compound: holothurin A4
SMILES: [Na+].[H][C@]1(O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](CO[C@@]1([H])O[C@H]1CC[C@]2(C)C3=C[C@H](O)C45C(=O)O[C@@](C)(CCC(O)C(C)C)[C@@]4(O)CC[C@@]5(C)[C@]3([H])CC[C@@]2([H])C1(C)C)OS([O-])(=O)=O
Compound: lycoxanthin
SMILES: CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CO
Compound: hookerianamide H
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C(=O)C(NC=O)=CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)N(C)C
Compound: hookerianamide I
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)NC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)N(C)C(=O)c1ccccc1
Compound: hookerianamide J
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=CC[C@@]34[H])[C@H](C)N(C)C)[C@@]1(C)CC[C@H](NC(=O)C=C(C)C)[C@@H]2O
Compound: hookerianamide K
SMILES: [H][C@@]1(CC=C2[C@]3([H])CCC4=C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)N(C)C)[C@H](C)N(C)C
Compound: 1beta-hydroxy arbusculin A
SMILES: [H][C@@]12CC[C@@]3(C)[C@H](O)CC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)C2=C
Compound: 7alpha-hydroperoxy manool
SMILES: [H][C@@]12C[C@@H](OO)C(=C)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C
Compound: (2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid
SMILES: C[C@@H](CCO)CC\C=C(/C)C(O)=O
Compound: (5R)-5-hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone
SMILES: COc1cc(CC[C@@H](O)CC(=O)CCc2ccccc2)ccc1O
Compound: 5-hydroxy-2-(1'-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
SMILES: C[C@H](O)c1cc2C(=O)c3c(O)cccc3C(=O)c2o1
Compound: 8-hydroxy-2-(1'-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione
SMILES: CC(O)c1cc2C(=O)c3cccc(O)c3C(=O)c2o1
Compound: Lypressin
SMILES: NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Compound: 7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one
SMILES: OCc1cc(O)cc2SCC(=O)Nc12
Compound: (2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
SMILES: COc1cc(O)c2C(=O)C[C@H](Oc2c1\C=C\C(C)=O)c1ccccc1
Compound: 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
SMILES: CO[C@H](CCc1ccc(O)c(OC)c1)CC(=O)CCc1ccccc1
Compound: 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
SMILES: COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O
Compound: 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one
SMILES: COc1cc(CC\C=C\C(=O)CCc2ccccc2)ccc1O
Compound: (1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate
SMILES: CC(=O)OC(C)(C)[C@H]1CC[C@@](C)(OO)C=C1
Compound: (2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan
SMILES: COc1ccc2CC[C@H](Oc2c1OC)c1cc(OC)c(OC)c(OC)c1O
Compound: 1-hydroxy-5-phenyl-3-pentanone
SMILES: OCCC(=O)CCc1ccccc1
Compound: (10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester
SMILES: CC\C=C/C\C=C/C=C/C(O)CCCCCCCC(=O)OC
Compound: 15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid
SMILES: CCCCC\C=C/C=C/C(O)C\C=C/C\C=C/C\C=C/CCCCC(O)=O
Compound: lysergic acid
SMILES: [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(O)=O)c34
Compound: 5-hydroxy-7,2',4',5'-tetramethoxyflavone
SMILES: COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1OC
Compound: 9-hydroxycanthin-6-one
SMILES: Oc1ccc2c3ccnc4ccc(=O)n(c2c1)c34
Compound: 1-hydroxycrisamicin A
SMILES: [H][C@]12CC(=O)O[C@@]1([H])C1=C([C@H](C)O2)C(=O)c2cc(cc(O)c2C1=O)-c1cc(O)c2C(=O)C3=C(C(=O)c2c1)[C@@](C)(O)O[C@@]1([H])CC(=O)O[C@@]31[H]
Compound: (3R,4S,1'R)-3-(1'-hydroxyethyl)-4-methyldihydrofuran-2(3H)-one
SMILES: [H][C@]1([C@@H](C)O)[C@H](C)COC1=O
Compound: trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
SMILES: CC(C)=CCc1cc(cc2[C@H](O)[C@H](Oc12)C(C)(C)O)C(O)=O
Compound: (20R)-28-hydroxylupen-30-al-3-one
SMILES: [H][C@]1(CC[C@]2(CO)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)C=O
Compound: 6-hydroxyluteolin 7-O-laminaribioside
SMILES: [H][C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)c(O)c2)[C@@H]1O
Compound: 3-hydroxymethyl-4-methyl-furan-2(5H)-one
SMILES: CC1=C(CO)C(=O)OC1
Compound: 2'-hydroxyneobavaisoflavanone
SMILES: CC(C)=CCc1c(O)ccc(C2COc3cc(O)ccc3C2=O)c1O
Compound: 21beta-hydroxyolean-12-en-3-one
SMILES: [H][C@@]12CC(C)(C)[C@@H](O)C[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C
Compound: lysergic acid diethylamide
SMILES: [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34
Compound: 5-hydroxyzerumbone
SMILES: C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\C(O)C1
Compound: hyemaloside A
SMILES: O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Compound: hyemaloside C
SMILES: Oc1ccc(O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@H]3[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1
Compound: 1,3,5-trihydroxy-2-(2',2'-dimethyl-4'-isopropenyl)cyclopentanylxanthone
SMILES: [H][C@@]1(C[C@]([H])(c2c(O)cc3oc4c(O)cccc4c(=O)c3c2O)C(C)(C)C1)C(C)=C
Compound: hyperinol A
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]45OC(=O)[C@@]6(CCC(=C)[C@@H](C)[C@@]46[H])CC[C@@]35C)[C@@]1(C)CC[C@H](O)C2(C)C
Compound: hyperinol B
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@@]45OC(=O)[C@]6(CC[C@@]34C)[C@@H](O)CC(=C)[C@@H](C)[C@@]56[H])[C@@]1(C)CC[C@H](O)C2(C)C
Compound: hyperixanthone A
SMILES: CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=Cc2oc3c(c(O)cc(O)c3c(=O)c12)C(C)(C)C=C
Compound: hyperxanthone C
SMILES: CC(=C)C(O)Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12
Compound: hyperxanthone E
SMILES: CC1(C)CCc2c(O1)c(O)cc1oc3cc(O)cc(O)c3c(=O)c21
Compound: hypocrellin D
SMILES: COC1=CC(=O)c2c(O)c(OC)c3C[C@](C)(O)[C@H](C(C)=O)c4c(OC)c(O)c5C(=O)C=C(OC)C(=O)c5c4-c3c2C1=O
Compound: hypoglaunine B
SMILES: [H][C@]12OC(=O)C(C)(O)C(C)c3ccncc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(=O)c1ccco1)[C@@]2(C)O
Compound: 16-O-deacetyl-16-epi-scalarolbutenolide
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@@H](O)[C@]4(C)[C@H]5OC(=O)C=C5[C@@H](O)C[C@@]34[H])[C@@]1(C)CCCC2(C)C
Compound: 12-deacetoxy-21-acetoxyscalarin
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC=C3C(=O)O[C@@H](O)[C@@]43[H])[C@@]1(C)CCC[C@@]2(C)COC(C)=O
Compound: 10-hydroxycanthin-6-one
SMILES: Oc1ccc2c(c1)c1ccnc3ccc(=O)n2c13
Compound: IC202A
SMILES: [H]C(CCCC)=[N+]([O-])CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Compound: IC202B
SMILES: NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCC[N+]([O-])=O
Compound: IC202C
SMILES: [H]C(CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)=NO
Compound: igalan
SMILES: [H][C@@]12C[C@](C)(C=C)[C@H](C[C@]1([H])C(=C)C(=O)O2)C(C)=C
Compound: impatienolate
SMILES: [Na+].[Na+].CC(C1=C([O-])C(=O)c2ccccc2C1=O)C1=C([O-])C(=O)c2ccccc2C1=O
Compound: isoimperatorin
SMILES: CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12
Compound: indicanone
SMILES: CC(=C)[C@@H]1CCC(CO)=C2CC(=O)C(C)=C2C1
Compound: 1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside
SMILES: CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
SMILES: CCCCC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: inflexin
SMILES: [H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@@]4([H])C(=O)C[C@]3(C1)C(=O)C2=C
Compound: integracin A
SMILES: CCC[C@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1)OC(C)=O
Compound: integracin B
SMILES: CCC[C@@H](O)CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1
Compound: integracin C
SMILES: CCC\C=C\CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(O)cc(O)c1
Compound: integrastatin A
SMILES: COc1cc2C(=O)C3(C)OC(C)(Oc4c(O)c(OC)cc(CO)c34)c2c(O)c1O
Compound: integrastatin B
SMILES: COc1cc2C(=O)C3(C)OC(C)(Oc4c(O)c(OC)cc(C=O)c34)c2c(O)c1O
Compound: integric acid
SMILES: CCCC[C@H](C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@@H](C(=C)C=O)C(=O)C=C12
Compound: interiotherin A
SMILES: COc1c2OCOc2cc2C[C@H](C)[C@H](C)[C@@H](OC(=O)c3ccccc3)c3cc4OCOc4c(OC)c3-c12
Compound: interiotherin B
SMILES: COc1c2OCOc2cc2C[C@H](C)[C@](C)(O)[C@@H](OC(=O)C(\C)=C/C)c3cc4OCOc4c(OC)c3-c12
Compound: irilone-4'-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside]
SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)-c3coc4cc5OCOc5c(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: isoscutellarein glycoside
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)c(O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Compound: isariotin F
SMILES: [H][C@@]12O[C@@H](O)[C@H](C[C@@]1(O)C(=O)C=C[C@H]2Cl)NC(=O)\C=C\CCCCCCCCC
Compound: isatinone A
SMILES: CO\C(c1ccccc1)=C1\C(=O)Nc2ccccc12
Compound: isatinone B
SMILES: CCCCC(CC)COC(=O)Cc1ccc(O\C(c2ccccc2)=C2\C(=O)Nc3ccccc23)cc1
Compound: isosecotanapartholide
SMILES: CC(=O)CC[C@@H]1[C@H](OC(=O)C1=C)C1=C(C)[C@@H](O)CC1=O
Compound: 3-O-methyl-isosecotanapartholide
SMILES: CO[C@H]1CC(=O)C([C@H]2OC(=O)C(=C)[C@@H]2CCC(C)=O)=C1C
Compound: isochamaejasmenin B
SMILES: [H][C@]1(Oc2cc(O)cc(O)c2C(=O)[C@]1([H])[C@]1([H])C(=O)c2c(O)cc(O)cc2O[C@]1([H])c1ccc(OC)cc1)c1ccc(OC)cc1
Compound: isochamuvaritin
SMILES: Oc1ccccc1Cc1c(O)c2Cc3ccccc3Oc2c(C(=O)CCc2ccccc2)c1O
Compound: isocomplestatin
SMILES: CN1[C@@H](Cc2ccc(Oc3cc4cc(-c5ccc6c(C[C@@H](NC(=O)C(=O)c7cc(Cl)c(O)c(Cl)c7)C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c[nH]c6c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
Compound: isoiguesterin
SMILES: CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)C3CC(=C)CC[C@]3(C)CC[C@]12C
Compound: 20-epi-isoiguesterinol
SMILES: [H][C@@]12C[C@@H](CO)CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C
Compound: isonymphaeol B
SMILES: [H][C@]1(CC(=O)c2c(O)cc(O)cc2O1)c1cc(O)c(O)c(C\C=C(/C)CCC=C(C)C)c1
Compound: isorhamnetin 3-O-alpha-L-[6''''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]
SMILES: [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(OC)c1
Compound: isotanshinone IIB
SMILES: Cc1coc2C(=O)c3c(ccc4c3CCCC4(C)CO)C(=O)c12
Compound: isowigtheone hydrate
SMILES: CC(C)(O)CCc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Compound: lythramine
SMILES: [H][C@]12CCc3ccc(O)c(c3)-c3cc(CC[C@@H](C[C@@]4([H])CCC[C@]([H])(C1)N4CO2)OC(C)=O)ccc3OC
Compound: ixerochinolide
SMILES: [H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@@H](CC2=C)OC(=O)Cc1ccc(O)cc1
Compound: jacarelhyperol A
SMILES: CC(C)(O)[C@@H]1Oc2cc(O)c3c(oc4c(O)c(O)ccc4c3=O)c2[C@H]1Oc1ccc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)c1O
Compound: jacarelhyperol B
SMILES: CC(C)(O)[C@@H]1Oc2cc(O)c3c(oc4c(O)cccc4c3=O)c2[C@H]1Oc1ccc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)c1O
Compound: jaceosidin
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Compound: jaspamide
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide B
SMILES: C[C@H]1C[C@@H](C)C(=O)C(=C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide C
SMILES: C[C@H]1C[C@@H](C)C(O)C(=C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide D
SMILES: CC[C@H]1NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O)c1ccc(O)cc1
Compound: jaspamide E
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](CO)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide F
SMILES: C[C@H]1C[C@@H](C)\C=C\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: MC-207,110
SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2ccccc2c1
Compound: jaspamide G
SMILES: C[C@H]1C[C@@H](C)\C=C(/C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1)C=O
Compound: jaspamide H
SMILES: [H]C1C[C@H](C)OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\1)c1ccc(O)cc1
Compound: jaspamide K
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C(O)[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide L
SMILES: C[C@H]1C[C@@H](C)\C=C(CO)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide J
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide M
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide N
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)C(C(O)c2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide O
SMILES: C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(=O)c2ccccc2N)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Compound: jaspamide P
SMILES: COC1(CC2N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@@H](NC2=O)c2ccc(O)cc2)OC(=O)Nc2ccccc12
Compound: jerantinine A
SMILES: [H][C@@]12N3CC[C@]11C(Nc4cc(OC)c(O)cc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
Compound: MC-3761
SMILES: COC(=O)c1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+]([O-])=O
Compound: jerantinine B
SMILES: [H][C@]12CN3CC[C@@]45C(Nc6cc(OC)c(O)cc46)=C(C[C@](CC)([C@@]1([H])O2)[C@]35[H])C(=O)OC
Compound: jerantinine C
SMILES: [H][C@@]12N3CC[C@]11C(Nc4cc(OC)c(O)cc14)=C(C[C@]2(CC)C=CC3=O)C(=O)OC
Compound: jerantinine D
SMILES: [H][C@@]12O[C@]1([H])[C@@]1(CC)CC(C(=O)OC)=C3Nc4cc(OC)c(O)cc4[C@@]33CCN(C2=O)[C@@]13[H]
Compound: jerantinine E
SMILES: [H][C@]12N3CCC[C@@]1(CC)CC(C(=O)OC)=C1Nc4cc(OC)c(O)cc4[C@]21CC3
Compound: jerantinine F
SMILES: [H][C@]12CCN3CC[C@@]45C(Nc6cc(OC)c(O)cc46)=C(C[C@@]1(CCO2)[C@]35[H])C(=O)OC
Compound: jineol
SMILES: Oc1cnc2c(O)cccc2c1
Compound: juglanin A
SMILES: COc1ccc2CCC(=O)CCCCc3ccc(Oc1c2)c(OC)c3O
Compound: juglanin B
SMILES: COc1cc2CCCC[C@H](O)CCc3ccc(O)c(c3)-c(c2)c1O
Compound: kadlongilactone A
SMILES: [H][C@@]12CC3=C([C@H](O)C[C@]4(C)[C@@]3([H])C[C@]3(O)C=C5C=CC(=O)OC(C)(C)[C@]5([H])CC[C@@]43[H])[C@H](C)[C@]1([H])OC(=O)C(C)=C2
Compound: kadlongilactone B
SMILES: [H][C@@]12CC3=C([C@H](C)[C@]1([H])OC(=O)C(C)=C2)C(=O)C[C@]1(C)[C@@]3([H])C[C@]2(O)C=C3C=CC(=O)OC(C)(C)[C@]3([H])CC[C@@]12[H]
Compound: MC-4379
SMILES: COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Compound: kadsuphilactone B
SMILES: [H][C@@]1(CC=C(C)C(=O)O1)[C@](C)(O)[C@@]1([H])CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)OC(=O)C=C[C@@]44C[C@@]34CC[C@]12C
Compound: kaempferol 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]
SMILES: [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
Compound: kaempferol 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
SMILES: [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1
Compound: kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O
Compound: kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside)
SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@H]1O
Compound: kalimantacin A
SMILES: CC(C\C=C\C=C/CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O
Compound: kalimantacin B
SMILES: CC(C\C=C\C=C\CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O
Compound: kalimantacin C
SMILES: CC(C\C=C\C=C/CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)CC(C)OC(N)=O
Compound: kansuiphorin A
SMILES: [H][C@]12C=C(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]3(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@]3([C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@@]1([H])C3(C)C)C2=O
Compound: kansuiphorin B
SMILES: [H][C@]12O[C@@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@@]11[C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@]([H])([C@@]2([H])C1=O)C3(C)C
Compound: MC-5127
SMILES: CCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Compound: karalicin
SMILES: COc1ccc(CC(O)C(OC(C)=O)C(O)CO)cc1
Compound: kempopeptin A
SMILES: CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](C)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C
Compound: kempopeptin B
SMILES: [H][C@@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(OC)c(Br)c1)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N2
Compound: kidjoranin-3-O-alpha-diginopyranosyl-(1->4)-beta-cymaropyranoside
SMILES: [H][C@@]1(C[C@H](OC)[C@H](O[C@@]2([H])C[C@H](OC)[C@H](O)[C@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1(O)[C@]2([H])C[C@@H](OC(=O)\C=C\c2ccccc2)[C@]2(C)[C@@](O)(CC[C@]12O)C(C)=O
Compound: kidjoranin-3-O-beta-digitoxopyranoside
SMILES: [H][C@@]1(C[C@H](O)[C@H](O)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1(O)[C@]2([H])C[C@@H](OC(=O)\C=C\c2ccccc2)[C@]2(C)[C@@](O)(CC[C@]12O)C(C)=O
Compound: kitastatin 1
SMILES: [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC
Compound: klugine
SMILES: [H][C@@]12C[C@H](C[C@@]3(O)NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(O)c(OC)cc21
Compound: komaroviquinone
SMILES: [H][C@@]12C[C@]3(O)O[C@@]1(CCCC2(C)C)CC1=C3C(=O)C(C(C)C)=C(OC)C1=O
Compound: koshikamide A2
SMILES: CC[C@@H](C)[C@H](N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)COC)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Compound: MC-6063
SMILES: COC(=O)c1cc(Oc2ccc(F)cc2Cl)ccc1[N+]([O-])=O
Compound: (2S)-(-)-kurarinone
SMILES: COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O
Compound: (2S)-2'-methoxykurarinone
SMILES: COc1cc(O)ccc1[C@@H]1CC(=O)c2c(OC)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1
Compound: kweichowenol B
SMILES: O[C@@H]1[C@@H](OC(=O)c2ccccc2)C=C[C@@](O)(COC(=O)c2ccccc2)[C@H]1O
Compound: salaspermic acid
SMILES: [H][C@@]12CC[C@]3(O)OC[C@@]1(CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]4([H])C[C@@](C)(CC[C@]4(C)CC[C@]12C)C(O)=O)[C@H]3C
Compound: salvileucalin B
SMILES: [H][C@]12C[C@]34C=CC5=C([C@H](OC5=O)c5ccoc5)[C@]3(C1)[C@@]41COC(=O)C1=C2
Compound: salvin A
SMILES: [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1(O)C(C)(C)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O
Compound: salvin B
SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(CO)[C@]3([H])[C@@H](O)C[C@@]12C)C(O)=O
Compound: salzmannianoside A
SMILES: [H][C@@]1(CO[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)[C@]2(C)C=O)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: salzmannianoside B
SMILES: [H][C@@]1(CO[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)[C@]2(C)CO)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O[C@]3([H])OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: samaderine B
SMILES: [H][C@@]12OC(=O)[C@@]3([H])[C@]1(C)OC[C@]31C(=O)C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]1([H])[C@H]2O
Compound: MC-7181
SMILES: COC(=O)c1cc(Oc2c(F)cc(Cl)cc2Cl)ccc1[N+]([O-])=O
Compound: samaderine C
SMILES: [H][C@@]12OC(=O)[C@@]3([H])[C@]1(C)OC[C@]31C(=O)C[C@@]3([H])C(C)=C[C@H](O)[C@@H](O)[C@]3(C)[C@@]1([H])[C@H]2O
Compound: samaderine E
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4(O)CC(=O)O2
Compound: samaderine X
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(C)=O)C(=O)O2
Compound: samaderine Y
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])CC(=O)O2
Compound: samaderine Z
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](O)C(=O)O2
Compound: sandwicensin
SMILES: [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(OC)ccc21
Compound: beta-sanshool
SMILES: C\C=C\C=C\C=C\CC\C=C\C(=O)NCC(C)C
Compound: gamma-sanshool
SMILES: C\C=C\C=C\C=C/CC\C=C\C=C\C(=O)NCC(C)C
Compound: (1R,2R,4S,5S,6R,7S)4,5-epoxygermacra-9Z-en-1,2,6-triol
SMILES: [H][C@@]12O[C@@]1(C)C[C@@H](O)[C@H](O)\C(C)=C/C[C@@H](C(C)C)[C@H]2O
Compound: sapinmusaponin Q
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@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C
Compound: MEGA
SMILES: CCNCC(=O)Nc1ccc(cc1)C(=O)Nc1c(C)cccc1C
Compound: sapinmusaponin R
SMILES: [H][C@]1(O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[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@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C
Compound: saponaceol A
SMILES: COC(=O)C(Cc1ccccc1)NC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)[C@H]2CC[C@@H](O[C@@H]2O)C(C)(C)O)C1(C)C
Compound: sappanchalcone
SMILES: COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1
Compound: sarasinoside J
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@H]1OC[C@H]1O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](CO[C@@]2([H])O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])C2(C)C)[C@]2([H])CC[C@]([H])([C@H](C)CC(=O)CC(C)(C)O)[C@@]2(C)CC4)O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
Compound: Sarcodonin-delta
SMILES: CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(cc3O[C@]2([C@@H](C)CC)C(=O)N1OC)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c1OC(C)=O
Compound: 23,24-dimethylcholest-16(17)-E-en-3beta,5alpha,6beta,20(S)-tetrol
SMILES: [H][C@@]12C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])[C@@](C)(O)CC(C)C(C)C(C)C
Compound: Saxicolaline A
SMILES: [H][C@@]12Cc3ccc(OC)c(O)c3-c3c(OC)c(O)cc(C(=O)C[N+]1(C)C)c23
Compound: scalusamide A
SMILES: C\C=C\CCCCC(=O)C(C)C(=O)N1CCC[C@@H]1CO
Compound: sch 213766
SMILES: COC(=O)[C@](C)(O)C[C@H]1NC(=O)\C(=C(/O)[C@@H]2[C@@H](C=C[C@@H]3C[C@H](C)C[C@H](C)[C@@H]23)C(\C)=C\C)C1=O
Compound: sch 725432
SMILES: [H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C/C(=O)[C@@H](O)[C@H]2CO
Compound: Met-enkephalin
SMILES: CSCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O
Compound: sch 54445
SMILES: [H][C@]12Cc3c(Cl)c4cc(C(C)CC)n(N)c(=O)c4c(O)c3-c3c(O)c4C(=O)[C@@]5([H])[C@@H](O)C=C[C@@H](OC)[C@@]5([H])Oc4c(OCO1)c23
Compound: sch 642305
SMILES: [H][C@@]12CC(=O)O[C@@H](C)CCCC[C@@]1([H])C(=O)C=C[C@@H]2O
Compound: taiwanhomoflavone A
SMILES: COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
Compound: taiwanhomoflavone-B
SMILES: COc1cc2OC(CC(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)c(C)c(O)cc2o1)c1ccc(O)cc1
Compound: taiwankadsurin B
SMILES: COC(=O)\C=C1\[C@H](OC(=O)c2ccccc2)[C@@]2(C)O[C@](O)(C(=O)OC)[C@@]11COc3c4OCOc4cc([C@H](OC(C)=O)[C@@H]2C)c13
Compound: taiwanschirin D
SMILES: CCCCCC(=O)OC1C(C)C(C)C\C(=C\C(=O)OC)C2(COc3c4OCOc4cc1c23)C(=O)C(=O)OC
Compound: talosin A
SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H](O)[C@@H]1O
Compound: talosin B
SMILES: C[C@@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O
Compound: tanariflavanone A
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c(O1)cc1OC(C)(C)C(O)Cc1c2O
Compound: tanariflavanone B
SMILES: CC(C)=CCCC1(C)Oc2c(O)ccc([C@@H]3CC(=O)c4c(O3)cc(O)c(CC=C(C)C)c4O)c2C=C1
Compound: MK 571
SMILES: CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Compound: tanariflavanone C
SMILES: CC(=C)C(O)Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1C\C=C(/C)CCC=C(C)C
Compound: tanariflavanone D
SMILES: CC(=C)C(O)CC\C(C)=C\Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1
Compound: tanghinin
SMILES: C1[C@H](O[C@@]2(O[C@H]([C@@H]([C@H]([C@@H]2OC(C)=O)OC)O)C)[H])C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C7=CC(=O)OC7)[H]
Compound: deacetyltanghinin
SMILES: C1[C@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)OC)O)C)C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C=7COC(=O)C7)[H]
Compound: tasumatrol E
SMILES: [H][C@]12[C@H](O)[C@@]3(C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]1(C)[C@H](C[C@H](OC(C)=O)[C@@]2(O)COC(C)=O)OC(C)=O)C(C)(C)O
Compound: tasumatrol F
SMILES: [H][C@@]12[C@H](COC(C)=O)[C@H](C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)C1=C(C)[C@@H](O)C[C@]1([C@H]2O)C(C)(C)O)OC(C)=O
Compound: Tasumatrol I(rel)
SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]34CCC(C)=C3[C@@](O)(C(=O)OC4(C)C)[C@]1(C)[C@@H](O)C[C@H](O)[C@@]2(O)COC(C)=O
Compound: Tasumatrol J(rel)
SMILES: [H][C@@]12C[C@H](O)[C@]3(C)[C@]([H])([C@H](OC(=O)c4ccccc4)[C@]45CCC(C)=C4[C@@]3(O)C(=O)OC5(C)C)[C@@]1(CO2)OC(C)=O
Compound: Tasumatrol K
SMILES: [H][C@]12[C@H](CC(C)=C([C@H](C[C@]3(C)CC[C@H](O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)OC(C)=O)C2(C)C)OC(=O)[C@H](C)[C@H](C)O
Compound: (+)-tephrorin A
SMILES: COc1ccc2C(=O)C[C@H](Oc2c1[C@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O)c1ccccc1
Compound: MK-129
SMILES: Clc1ccc(COc2ccc(cc2)N2C(=O)C3=C(CCCC3)C2=O)cc1
Compound: (+)-tephrorin B
SMILES: [H][C@@]1(COC(C)(C)[C@@]1([H])OC(=O)\C=C\c1ccccc1)c1c(O)ccc2C(=O)C[C@H](Oc12)c1ccccc1
Compound: (+)-tephrosone
SMILES: [H][C@]12Oc3ccc(C(=O)\C=C\c4ccccc4)c(O)c3[C@@]1([H])[C@H](O)C(C)(C)O2
Compound: termilignan B
SMILES: Oc1ccc(CC(=C)C(=C)Cc2ccc3OCOc3c2)cc1
Compound: ternstroside A
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O
Compound: ternstroside B
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)Cc2ccc(O)cc2)[C@@H](O)[C@@H]1O
Compound: ternstroside C
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O
Compound: ternstroside D
SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1COC(=O)Cc1ccc(O)c(O)c1
Compound: ternstroside E
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O
Compound: ternstroside F
SMILES: OC[C@H]1O[C@@H](OCCc2cc(O)c(O)cc2O)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O
Compound: terpendole J
SMILES: [H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@H]([C@@H](O)[C@@]5([H])O[C@@]345)C(C)(C)OCC=C(C)C)[C@@]1(C)c1[nH]c3ccccc3c1C2
Compound: terpendole K
SMILES: [H][C@@]12CC[C@]3(O)[C@](C)(CC=C4O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3ccccc3c1C2
Compound: terpendole L
SMILES: [H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3cccc(CC=C(C)C)c3c1C2
Compound: 5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone
SMILES: CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(O)c2c1=O
Compound: 1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone
SMILES: CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C
Compound: (2S)-5,7,3',5'-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: tetrahydroxysqualene
SMILES: C\C(CC\C=C(/C)CCC=C(CO)CO)=C/CC\C=C(/C)CC\C=C(/C)CCC=C(CO)CO
Compound: 13,14,15,16-tetranorlabdane-8alpha,12,18-triol
SMILES: C[C@@]1(O)CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCO
Compound: theograndin II
SMILES: O[C@H]1[C@H](Oc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O
Compound: thiazomycin
SMILES: CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@]2(C)OCN(C)[C@@H]2[C@H](C)O1)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NC(=C)C(N)=O)[C@@H](C)O
Compound: thiomarinol A
SMILES: C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O
Compound: thiomarinol B
SMILES: C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)NC2=C3SS(=O)(=O)C=C3NC2=O)[C@H](O)[C@@H]1O
Compound: thiomarinol C
SMILES: C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O
Compound: thiomarinol D
SMILES: CC[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O
Compound: thiomarinol E
SMILES: C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O
Compound: thiomarinol F
SMILES: C[C@H](\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O)C(C)=O
Compound: thiomarinol G
SMILES: CC(O)C(C)\C=C\CC1(O)COC(C\C(C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)CC1O
Compound: Thonningianin A
SMILES: [H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@]1([H])[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2
Compound: Thonningianin B
SMILES: [H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@]1([H])[C@H](O)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2
Compound: threo-(7S,8R)-1-(4-hydroxyphenyl)-2-[4-(E)-propenylphenoxy]-propan-1-ol
SMILES: C\C=C\c1ccc(O[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1
Compound: Macluraxanthone
SMILES: CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c2c1oc1c(O)c(O)ccc1c2=O
Compound: tianshic acid
SMILES: CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(O)=O
Compound: tianshic acid methyl ester
SMILES: CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(=O)OC
Compound: TMC-135A
SMILES: COC1CC(=O)Nc2c(O)c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)cc1NC(=O)CSc21
Compound: TMC-135B
SMILES: COC1CC(=O)Nc2cc3NC(=O)CSc3c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)c2O
Compound: TMC-1A
SMILES: CCCCC(C)\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
Compound: TMC-1B
SMILES: CCC(C)CC\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
Compound: TMC-1C
SMILES: CCCCC(C)\C=C(C)\C=C\C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
Compound: TMC-1D
SMILES: CCCCC(C)CC(C)\C=C\C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
Compound: TMC-52A
SMILES: NCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1OC1C(O)=O
Compound: TMC-52B
SMILES: NCCCNCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1OC1C(O)=O
Compound: Maclurin
SMILES: Oc1cc(O)c(C(=O)c2ccc(O)c(O)c2)c(O)c1
Compound: TMC-52C
SMILES: NCCCCNCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(O)=O
Compound: TMC-52D
SMILES: NCCCNCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(O)=O
Compound: TMC-86A
SMILES: CCCC(=O)N[C@@H](CO)C(=O)NC(CC(C)=C)C(=O)C1(CO)CO1
Compound: TMC-86B
SMILES: CC(=C)CC(NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O)C(=O)C1(CO)CO1
Compound: TMC-96
SMILES: CC(C)CC(NC(=O)[C@@H](NC(=O)CC(C)C)[C@@H](C)O)C(=O)C1(CO)CO1
Compound: TMC-95B
SMILES: CC[C@@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N\C=C/C
Compound: TMC-95C
SMILES: CC[C@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N\C=C/C
Compound: TMC-95D
SMILES: CC[C@@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N\C=C/C
Compound: tolybyssidin A
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC1=O)=C\C)C(C)C)[C@@H](C)OC(C)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC
Compound: Macoline
SMILES: COc1cc2CCN(C)[C@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6c7c(CC[N+]6(C)C)cc(OC)c(O)c7Oc1cc23)cc5)c4
Compound: tolybyssidin B
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)=C/C)C(C)C)[C@@H](C)O
Compound: tolypodiol
SMILES: [H][C@]12CC[C@]3(C)Oc4ccc(cc4C[C@@]3([H])[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)CC[C@@H](O)[C@]21C)C(=O)OC
Compound: topopyrone A
SMILES: Cc1cc(=O)c2c(O)cc3C(=O)c4cc(O)c(Cl)c(O)c4C(=O)c3c2o1
Compound: topopyrone B
SMILES: Cc1cc(=O)c2c(O)c3C(=O)c4c(O)c(Cl)c(O)cc4C(=O)c3cc2o1
Compound: topopyrone C
SMILES: Cc1cc(=O)c2c(O)cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c2o1
Compound: topopyrone D
SMILES: Cc1cc(=O)c2c(O)c3C(=O)c4c(O)cc(O)cc4C(=O)c3cc2o1
Compound: Topostatin
SMILES: CCCCCCCC(C)C\C=C(C)\C=C\C(=O)C(C)CCC1OC(=O)[C@H](CC(OS(O)(=O)=O)C(N)=O)NC(=O)C(C)CNC(=O)C(=C)NCC1C
Compound: torososide B
SMILES: [H][C@]1(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)cc4C(=O)c5cc(C)cc(O)c5C(=O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Compound: torvanol A
SMILES: [K+].COc1ccc2OC[C@H]([C@H](OS([O-])(=O)=O)c2c1)c1cc(\C=C\C(O)=O)cc(OC)c1O
Compound: torvoside H
SMILES: [H][C@]12C[C@@]3([H])[C@]4([H])C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@@]5([H])CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CC[C@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
Compound: trachyspic acid
SMILES: CCCCCCCCCC1=COC2(CC(C(O)=O)C(CC(O)=O)(O2)C(O)=O)C1=O
Compound: trichodimerol
SMILES: C\C=C\C=C\C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)\C=C\C=C\C)=C(O)[C@@]4(C)[C@@H]1[C@@]1(C)O[C@]4(O)[C@]3(C)O[C@@]21O
Compound: trierixin
SMILES: COC1CC(=O)Nc2c(O)c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C(C)NC(=O)C1CCCCC1)cc(O)c2SC
Compound: 5,7,4'-trihydroxy-6,8-diprenylisoflavone
SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
Compound: 5,7,3'-trihydroxy-4'-methoxy-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone
SMILES: COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(CC=C(C)C)c1O
Compound: 2,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone
SMILES: COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Compound: 5,6,3'-trihydroxy-7,8,4'-trimethoxyflavone
SMILES: COc1ccc(cc1O)-c1cc(=O)c2c(O)c(O)c(OC)c(OC)c2o1
Compound: 5,7,3'-trihydroxy-4',5'-(2'''',2''''-dimethylpyran)-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone
SMILES: CC(C)=CCc1c(O)c2OC(C)(C)C=Cc2cc1[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1
Compound: 1,2,5-trihydroxyxanthone
SMILES: Oc1ccc2oc3c(O)cccc3c(=O)c2c1O
Compound: trikendiol
SMILES: CCc1c(C)c2c([C@@H](C)C[C@@]2(C)O)c(C)c1C1=C\C(C(=O)N1)=C1\C=C(NC1=O)c1c(C)c2[C@H](C)C[C@](C)(O)c2c(C)c1CC
Compound: Macrophylline
SMILES: C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
Compound: trilobacin
SMILES: CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
Compound: Dioncophylline B
SMILES: COc1cc(C)cc2ccc(c(O)c12)-c1ccc2C[C@@H](C)N[C@H](C)c2c1O
Compound: tripterifordin
SMILES: C[C@]1(O)C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)([C@H]1CC3)C(=O)OC2
Compound: triptonine A
SMILES: COC(=O)C[C@@H]1C(=O)CC[C@H](C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)c3cccnc3[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O
Compound: triptonine B
SMILES: COC(=O)CC1C(=O)CCC(C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)c3cnccc3C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O
Compound: tsugarioside C
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C2CC[C@]2(C)[C@H](CC[C@@]32C)[C@@H](C\C=C(\C)C(C)=C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1(C)C
Compound: tubelactomicin A
SMILES: [H][C@@]12C=C(C)[C@]3([H])\C=C\C=C\[C@H](C)[C@@H](O)\C(=C\CCC[C@@H](C)OC(=O)[C@]3(C)[C@@]1([H])CC[C@H](C)[C@H]2O)C(O)=O
Compound: Macrozamin
SMILES: C\[N+]([O-])=N\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Compound: Tungtungmadic acid
SMILES: OC1CC(O)(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C1OC(=O)CCc1ccc(O)c(O)c1)C(O)=O