![JTH JTH](https://data.pdbj.org/pdbjplus/data/cc/svg/JTH.svg) | JTH | Name: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one | Formula: | C10 H12 O3 | SMILES: | O=C1C(O)=CC=C(C=C1O)C(C)C | InChi: | InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13) | Synonyms: | beta-thujaplicinol | Definition date: | 2009-07-29 | Last modified: | 2020-06-17 | Identifier: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one |
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![3XY 3XY](https://data.pdbj.org/pdbjplus/data/cc/svg/3XY.svg) | 3XY | Name: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | Formula: | C23 H21 F3 N6 S | SMILES: | N#Cc2nc1ccc(cc1c2)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5 | InChi: | InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31) | Synonyms: | MI-136 | Definition date: | 2014-12-08 | Last modified: | 2020-06-17 | Release date: | 2015-04-15 | Identifier: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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![JTP JTP](https://data.pdbj.org/pdbjplus/data/cc/svg/JTP.svg) | JTP | Name: | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | Formula: | C27 H30 N2 O4 | SMILES: | O=C(O)C(NC(=O)c5cc1c(c(c2n1CCOc3ccccc23)C4CCCCC4)cc5)(C)C | InChi: | InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32) | Synonyms: | 2-[(12-CYCLOHEXYL-6,7-DIHYDRO-5-OXA-7A-AZA-DIBENZO[A,E]AZULENE-9-CARBONYL)-AMINO]-2-METHYL-PROPIONIC ACID | Definition date: | 2006-09-01 | Last modified: | 2020-06-17 | Identifier: | N-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-D-alanine |
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![JUG JUG](https://data.pdbj.org/pdbjplus/data/cc/svg/JUG.svg) | JUG | Name: | 5-hydroxynaphthalene-1,4-dione | Formula: | C10 H6 O3 | SMILES: | O=C2c1c(c(O)ccc1)C(=O)C=C2 | InChi: | InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H | Synonyms: | Juglone | Definition date: | 2007-11-01 | Last modified: | 2020-06-17 | Identifier: | 5-hydroxynaphthalene-1,4-dione |
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![JUV JUV](https://data.pdbj.org/pdbjplus/data/cc/svg/JUV.svg) | JUV | Name: | (2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid | Formula: | C18 H16 O6 | SMILES: | c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O | InChi: | InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1 | Synonyms: | 4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate | Definition date: | 2018-09-25 | Last modified: | 2020-06-17 | Release date: | 2019-09-11 | Identifier: | (2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid |
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![JXG JXG](https://data.pdbj.org/pdbjplus/data/cc/svg/JXG.svg) | JXG | Name: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide | Formula: | C8 H13 N3 O6 S | SMILES: | OS(=O)(=O)ONC1CN(C(C(=C1)C)C(=O)N)C=O | InChi: | InChI=1S/C8H13N3O6S/c1-5-2-6(10-17-18(14,15)16)3-11(4-12)7(5)8(9)13/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7+/m1/s1 | Synonyms: | ETX2514 bound form | Definition date: | 2018-10-09 | Last modified: | 2020-06-17 | Release date: | 2019-02-27 | Identifier: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide |
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![JY JY](https://data.pdbj.org/pdbjplus/data/cc/svg/JY.svg) | JY | Name: | 3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL | Formula: | C28 H38 O2 | SMILES: | OC4CC(=C/C=C2CCCC3(C)C(C(C)Cc1cccc(O)c1)CCC23)/C(=C)CC4 | InChi: | InChI=1S/C28H38O2/c1-19-9-12-25(30)18-23(19)11-10-22-7-5-15-28(3)26(13-14-27(22)28)20(2)16-21-6-4-8-24(29)17-21/h4,6,8,10-11,17,20,25-27,29-30H,1,5,7,9,12-16,18H2,2-3H3/b22-10+,23-11-/t20-,25+,26-,27+,28-/m1/s1 | Synonyms: | 22-(M-HYDROXYPHENYL)-23,24,25,26,27-PENTANOR VITAMIN D3 | Definition date: | 2001-06-06 | Last modified: | 2020-06-17 | Identifier: | 3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}phenol (non-preferred name) |
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![JYD JYD](https://data.pdbj.org/pdbjplus/data/cc/svg/JYD.svg) | JYD | Name: | (2S)-2-sulfanylbutanedioic acid | Formula: | C4 H6 O4 S | SMILES: | C(C(=O)O)C(S)C(O)=O | InChi: | InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1 | Synonyms: | thiomalate | Definition date: | 2018-10-18 | Last modified: | 2020-06-17 | Release date: | 2019-01-30 | Identifier: | (2S)-2-sulfanylbutanedioic acid |
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![JZA JZA](https://data.pdbj.org/pdbjplus/data/cc/svg/JZA.svg) | JZA | Name: | 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine | Formula: | C7 H12 N2 O4 S | SMILES: | O=C(N1CCOCC1)N2CCS2(=O)=O | InChi: | InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2 | Synonyms: | beta-sultam | Definition date: | 2009-08-10 | Last modified: | 2020-06-17 | Identifier: | (1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone |
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![JZQ JZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JZQ.svg) | JZQ | Name: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-
inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Formula: | C33 H35 F2 N3 O6 S | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccccc4)CSC5(C)C | InChi: | InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1 | Synonyms: | KNI-10265 | Definition date: | 2009-10-23 | Last modified: | 2020-06-17 | Identifier: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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![DX5 DX5](https://data.pdbj.org/pdbjplus/data/cc/svg/DX5.svg) | DX5 | Name: | D-XYLITOL-5-PHOSPHATE | Formula: | C5 H13 O8 P | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CO | InChi: | InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1 | Synonyms: | D-HYLITOL-5-PHOSPHATE | Definition date: | 2006-01-24 | Last modified: | 2020-06-17 | Identifier: | 5-O-phosphono-D-xylitol |
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![DXC DXC](https://data.pdbj.org/pdbjplus/data/cc/svg/DXC.svg) | DXC | Name: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | Formula: | C24 H40 O4 | SMILES: | O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C | InChi: | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 | Synonyms: | DEOXYCHOLIC ACID | Definition date: | 2000-06-26 | Last modified: | 2020-06-17 | Identifier: | (3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid |
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![DXL DXL](https://data.pdbj.org/pdbjplus/data/cc/svg/DXL.svg) | DXL | Name: | D-xylaric acid | Formula: | C5 H8 O7 | SMILES: | O=C(O)C(O)C(O)C(O)C(=O)O | InChi: | InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+ | Synonyms: | m-Xylarate | Definition date: | 2010-09-27 | Last modified: | 2020-06-17 | Identifier: | D-xylaric acid |
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![DXU DXU](https://data.pdbj.org/pdbjplus/data/cc/svg/DXU.svg) | DXU | Name: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}
-5-methyl-1,2-oxazolidine-4-carboxamide | Formula: | C19 H25 Cl2 N3 O5 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C | InChi: | InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1 | Synonyms: | dicloxacillin - open form | Definition date: | 2014-08-25 | Last modified: | 2020-06-17 | Release date: | 2014-09-17 | Identifier: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide |
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![DZN DZN](https://data.pdbj.org/pdbjplus/data/cc/svg/DZN.svg) | DZN | Name: | DAIDZIN | Formula: | C21 H20 O9 | SMILES: | O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2 | InChi: | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 | Synonyms: | 4',7-DIHYDROXYISOFLAVONE | Definition date: | 2003-04-08 | Last modified: | 2020-06-17 | Identifier: | 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside |
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![E14 E14](https://data.pdbj.org/pdbjplus/data/cc/svg/E14.svg) | E14 | Name: | (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but
anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide | Formula: | C34 H49 N5 O5 S | SMILES: | O=C(NCC(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C | InChi: | InChI=1S/C34H49N5O5S/c1-21(2)19-36-31(43)28-34(6,7)45-20-39(28)32(44)26(40)24(18-22-14-10-8-11-15-22)37-30(42)27(33(3,4)5)38-29(41)25(35)23-16-12-9-13-17-23/h8-17,21,24-28,40H,18-20,35H2,1-7H3,(H,36,43)(H,37,42)(H,38,41)/t24-,25-,26-,27+,28+/m0/s1 | Synonyms: | KNI-10673 | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(2S)-2-amino-2-phenylacetyl]-N-[(2S,3S)-4-{(4R)-5,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-L-valinamide |
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![E15 E15](https://data.pdbj.org/pdbjplus/data/cc/svg/E15.svg) | E15 | Name: | (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but
anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide | Formula: | C35 H51 N5 O5 S | SMILES: | O=C(NC(C)C(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C | InChi: | InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1 | Synonyms: | KNI-10681 | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-5,5-dimethyl-4-{[(2R)-3-methylbutan-2-yl]carbamoyl}-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide |
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![E16 E16](https://data.pdbj.org/pdbjplus/data/cc/svg/E16.svg) | E16 | Name: | (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but
anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Formula: | C36 H53 N5 O5 S | SMILES: | O=C(NC(C)C(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C | InChi: | InChI=1S/C36H53N5O5S/c1-22(34(2,3)4)38-32(45)29-36(8,9)47-21-41(29)33(46)27(42)25(20-23-16-12-10-13-17-23)39-31(44)28(35(5,6)7)40-30(43)26(37)24-18-14-11-15-19-24/h10-19,22,25-29,42H,20-21,37H2,1-9H3,(H,38,45)(H,39,44)(H,40,43)/t22-,25+,26+,27+,28-,29-/m1/s1 | Synonyms: | KNI-10683 | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide |
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![E1X E1X](https://data.pdbj.org/pdbjplus/data/cc/svg/E1X.svg) | E1X | Name: | PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER | Formula: | C12 H17 N4 O8 P | SMILES: | O=C3Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3CC | InChi: | InChI=1S/C12H17N4O8P/c1-2-15-11(18)9-10(14-12(15)19)16(5-13-9)8-3-6(17)7(24-8)4-23-25(20,21)22/h5-8,17H,2-4H2,1H3,(H,14,19)(H2,20,21,22)/t6-,7+,8+/m0/s1 | Synonyms: | N1-ETHYL-2'-DEOXYXANTHOSINE 5'-MONOPHOSPHATE | Definition date: | 2004-05-06 | Last modified: | 2020-06-17 | Identifier: | 2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate) |
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![E20 E20](https://data.pdbj.org/pdbjplus/data/cc/svg/E20.svg) | E20 | Name: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE | Formula: | C24 H29 N O3 | SMILES: | O=C2c1cc(OC)c(OC)cc1CC2CC4CCN(Cc3ccccc3)CC4 | InChi: | InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1 | Synonyms: | E2020 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one |
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![E2J E2J](https://data.pdbj.org/pdbjplus/data/cc/svg/E2J.svg) | E2J | Name: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | Formula: | C27 H25 F2 N3 O S | SMILES: | C5=4N(C(C(CCN1CCC(CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5 | InChi: | InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | Synonyms: | Ritanserin | Definition date: | 2017-11-28 | Last modified: | 2020-06-17 | Release date: | 2018-02-14 | Identifier: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
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![3YI 3YI](https://data.pdbj.org/pdbjplus/data/cc/svg/3YI.svg) | 3YI | Name: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam
ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate | Formula: | C38 H47 N O13 | SMILES: | c1(c4c(O)c(c3OC2(OC=CC(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C=CC=C(C(Nc1c(c(O)c4c3C2=O)C=O)=O)C)C)C)C)C)C)C)O | InChi: | InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1 | Synonyms: | 3-formyl rifamycin SV | Definition date: | 2017-10-26 | Last modified: | 2020-06-17 | Release date: | 2018-07-18 | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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![3YN 3YN](https://data.pdbj.org/pdbjplus/data/cc/svg/3YN.svg) | 3YN | Name: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
(2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate | Formula: | C16 H24 N2 O14 P2 | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3)C)O)O)C | InChi: | InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1 | Synonyms: | TDP-4-keto-D-olivose | Definition date: | 2014-12-10 | Last modified: | 2020-06-17 | Release date: | 2015-01-28 | Identifier: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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![3ZO 3ZO](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZO.svg) | 3ZO | Name: | 2'-DEOXY-XANTHOSINE-5'-MONOPHOSPHATE | Formula: | C10 H13 N4 O8 P | SMILES: | O=P(O)(O)OCC3OC(n1cnc2c1NC(=O)NC2=O)CC3O | InChi: | InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1 | Synonyms: | 2'-deoxy-5'-2,3-dihydroxanthylic acid | Definition date: | 2014-12-24 | Last modified: | 2020-06-17 | Release date: | 2015-10-14 | Identifier: | 2'-deoxy-5'-2,3-dihydroxanthylic acid |
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![405 405](https://data.pdbj.org/pdbjplus/data/cc/svg/405.svg) | 405 | Name: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | Formula: | C16 H16 F3 N O | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2 | InChi: | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | Synonyms: | (S)-Norfluoxetine | Definition date: | 2014-12-22 | Last modified: | 2020-06-17 | Release date: | 2015-03-18 | Identifier: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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