 | | TWD | | Name: | 2,3-di-O-sulfo-alpha-L-glucopyranose | | Formula: | C6 H12 O12 S2 | | SMILES: | C(C1C(C(C(C(O1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O | | InChi: | InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2,3-di-O-sulfo-alpha-L-glucopyranose |
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 | | TWJ | | Name: | 1-thio-beta-D-talopyranose | | Formula: | C6 H12 O5 S | | SMILES: | SC1OC(CO)C(C(O)C1O)O | | InChi: | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5+,6+/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 1-thio-beta-D-talopyranose |
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 | | V3P | | Name: | 4-iodophenyl 1,4-dithio-beta-D-glucopyranoside | | Formula: | C12 H15 I O4 S2 | | SMILES: | C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S | | InChi: | InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1 | | Definition date: | 2020-06-21 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-01 | | Identifier: | 4-iodophenyl 1,4-dithio-beta-D-glucopyranoside |
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 | | TWM | | Name: | 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | | Formula: | C19 H21 N3 O2 | | SMILES: | c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
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 | | SA0 | | Name: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside | | Formula: | C13 H18 O7 | | SMILES: | O(c1c(cccc1)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 | | Synonyms: | Salicin | | Definition date: | 2011-10-14 | | Last modified: | 2020-07-17 | | Identifier: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside |
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 | | TWP | | Name: | N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide | | Formula: | C16 H14 N2 O2 | | SMILES: | c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide |
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 | | TWS | | Name: | N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide | | Formula: | C18 H18 N2 O3 | | SMILES: | c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23 | | InChi: | InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide |
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 | | ZCD | | Name: | alpha-D-idopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m1/s1 | | Synonyms: | alpha-D-idose | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | alpha-D-idopyranose |
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 | | TWV | | Name: | 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | | Formula: | C20 H23 N3 O2 | | SMILES: | c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C | | InChi: | InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
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 | | TWY | | Name: | 4-thio-beta-D-xylopyranose | | Formula: | C5 H10 O4 S | | SMILES: | SC1C(C(C(OC1)O)O)O | | InChi: | InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1 | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 4-thio-beta-D-xylopyranose |
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 | | IWP | | Name: | 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol | | Formula: | C17 H11 F2 N5 O2 | | SMILES: | c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F | | InChi: | InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25) | | Definition date: | 2020-04-29 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol |
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 | | ZCZ | | Name: | 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose | | Formula: | C11 H21 N O7 | | SMILES: | O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO | | InChi: | InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose |
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 | | ZD0 | | Name: | methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside | | Formula: | C11 H21 N O7 | | SMILES: | O=C(NC1C(OC(OC)C(O)C1O)C)C(O)CCO | | InChi: | InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11+/m1/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside |
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 | | K4W | | Name: | 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol | | Formula: | C18 H26 N6 O3 | | SMILES: | CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1 | | InChi: | InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1 | | Definition date: | 2019-04-24 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol |
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 | | TXB | | Name: | 4-deoxy-4-thio-alpha-D-xylopyranose | | Formula: | C5 H10 O4 S | | SMILES: | O[CH]1OC[CH](S)[CH](O)[CH]1O | | InChi: | InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5+/m1/s1 | | Synonyms: | (2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol | | Definition date: | 2015-08-26 | | Last modified: | 2020-07-17 | | Release date: | 2016-09-21 | | Identifier: | (2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol |
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 | | UCD | | Name: | (4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5
,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID | | Formula: | C14 H21 N O11 | | SMILES: | O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2 | | InChi: | InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1 | | Synonyms: | 4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE | | Definition date: | 2005-08-04 | | Last modified: | 2020-07-17 | | Identifier: | 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose |
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 | | SQ4 | | Name: | 1-(4-aminophenyl)pyrrole-2,5-dione | | Formula: | C10 H8 N2 O2 | | SMILES: | Nc1ccc(cc1)N2C(=O)C=CC2=O | | InChi: | InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 1-(4-aminophenyl)pyrrole-2,5-dione |
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 | | K5B | | Name: | 4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid | | Formula: | C8 H12 O7 | | SMILES: | OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1 | | Synonyms: | 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid | | Definition date: | 2017-09-07 | | Last modified: | 2020-07-17 | | Release date: | 2018-06-20 | | Identifier: | 3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid |
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 | | SQ7 | | Name: | 3-(4-chlorophenyl)imidazole-2,4-dione | | Formula: | C9 H5 Cl N2 O2 | | SMILES: | Clc1ccc(cc1)N2C(=O)C=NC2=O | | InChi: | InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 3-(4-chlorophenyl)imidazole-2,4-dione |
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 | | ZDO | | Name: | methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside | | Formula: | C7 H15 N O11 S2 | | SMILES: | O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O | | InChi: | InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1 | | Definition date: | 2012-12-19 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside |
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 | | 445 | | Name: | N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine | | Formula: | C14 H18 N2 O7 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc2ccccc2 | | InChi: | InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1 | | Synonyms: | N-[oxo(phenylamino)acetyl]-beta-D-glucosylamine | | Definition date: | 2008-04-23 | | Last modified: | 2020-07-17 | | Identifier: | N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine |
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 | | IXD | | Name: | 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid | | Formula: | C6 H8 O9 S | | SMILES: | O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O | | InChi: | InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4-,6-/m1/s1 | | Synonyms: | 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid | | Definition date: | 2009-08-19 | | Last modified: | 2020-07-17 | | Identifier: | (2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
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 | | SQG | | Name: | 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide | | Formula: | C10 H7 F3 N2 O2 | | SMILES: | FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1 | | InChi: | InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16) | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide |
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 | | SQM | | Name: | 4-benzamido-2-methyl-pyrazole-3-carboxamide | | Formula: | C12 H12 N4 O2 | | SMILES: | Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O | | InChi: | InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18) | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-benzamido-2-methyl-pyrazole-3-carboxamide |
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 | | XDX | | Name: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid | | Formula: | C9 H17 O12 P | | SMILES: | OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O | | InChi: | InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1 | | Synonyms: | (2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid | | Definition date: | 2016-05-10 | | Last modified: | 2020-07-17 | | Release date: | 2017-05-24 | | Identifier: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid |
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