| D1M | Name: | 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione | Formula: | C12 H14 N2 O7 | SMILES: | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/m1/s1 | Synonyms: | 5-ethynyl-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione | Definition date: | 2012-04-12 | Last modified: | 2020-07-17 | Identifier: | 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione |
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| D5E | Name: | paromamine | Formula: | C12 H25 N3 O7 | SMILES: | N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O)[CH]1O | InChi: | InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 | Definition date: | 2017-12-21 | Last modified: | 2020-07-17 | Release date: | 2018-01-17 | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl
]oxy-2-(hydroxymethyl)oxane-3,4-diol |
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| D6G | Name: | 2-deoxy-6-O-phosphono-alpha-D-glucopyranose | Formula: | C6 H13 O8 P | SMILES: | O=P(O)(O)OCC1OC(O)CC(O)C1O | InChi: | InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+,6+/m1/s1 | Synonyms: | 2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose |
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| DAF | Name: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose | Formula: | C13 H17 N O8 | SMILES: | O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O | InChi: | InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1 | Synonyms: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose |
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| DAG | Name: | 4-amino-4,6-dideoxy-beta-D-glucopyranose | Formula: | C6 H13 N O4 | SMILES: | OC1C(N)C(OC(O)C1O)C | InChi: | InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | 4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-amino-4,6-dideoxy-beta-D-glucopyranose |
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| DAN | Name: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | Formula: | C11 H17 N O8 | SMILES: | O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1 | InChi: | InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | Synonyms: | Neu5Ac2en | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic acid |
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| BS7 | Name: | 8-hydroxyquinoline beta-galactopyranoside | Formula: | C15 H17 N O6 | SMILES: | C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O | InChi: | InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1 | Synonyms: | quinolin-8-yl beta-D-galactopyranoside | Definition date: | 2017-08-23 | Last modified: | 2020-07-17 | Release date: | 2018-02-28 | Identifier: | quinolin-8-yl beta-D-galactopyranoside |
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| BTG | Name: | ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside | Formula: | C21 H23 N O8 | SMILES: | c3ccc(c1cccc(C(O)=O)c1)c(OC2C(NC(=O)C)C(O)C(C(O2)CO)O)c3 | InChi: | InChI=1S/C21H23NO8/c1-11(24)22-17-19(26)18(25)16(10-23)30-21(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)20(27)28/h2-9,16-19,21,23,25-26H,10H2,1H3,(H,22,24)(H,27,28)/t16-,17-,18+,19-,21-/m1/s1 | Synonyms: | 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1'-biphenyl]-3-carboxylic acid | Definition date: | 2017-08-24 | Last modified: | 2020-07-17 | Release date: | 2018-02-28 | Identifier: | 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1'-biphenyl]-3-carboxylic acid |
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| BWG | Name: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine | Formula: | C11 H16 N2 O6 S | SMILES: | O1C(CO)C(O)C(O)C(O)C1Nc2ncc(s2)C(O)C | InChi: | InChI=1S/C11H18N2O6S/c1-4(15)6-2-12-11(20-6)13-10-9(18)8(17)7(16)5(3-14)19-10/h2,4-5,7-10,14-18H,3H2,1H3,(H,12,13)/t4-,5-,7-,8+,9+,10+/m1/s1 | Synonyms: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine | Definition date: | 2013-01-28 | Last modified: | 2020-07-17 | Release date: | 2013-07-10 | Identifier: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine |
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| BXX | Name: | beta-D-arabinofuranose | Formula: | C5 H10 O5 | SMILES: | OC1C(OC(O)C1O)CO | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1 | Synonyms: | beta-D-arabinose | Definition date: | 2009-06-04 | Last modified: | 2020-07-17 | Identifier: | beta-D-arabinofuranose |
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| BXY | Name: | alpha-D-arabinofuranose | Formula: | C5 H10 O5 | SMILES: | OC1C(OC(O)C1O)CO | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1 | Synonyms: | alpha-D-arabinose | Definition date: | 2009-06-04 | Last modified: | 2020-07-17 | Identifier: | alpha-D-arabinofuranose |
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| BZD | Name: | N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine | Formula: | C14 H18 N2 O7 | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccccc2 | InChi: | InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1 | Synonyms: | N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA | Definition date: | 2001-09-20 | Last modified: | 2020-07-17 | Identifier: | N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
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| C3B | Name: | 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one | Formula: | C10 H15 N3 O6 | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-8(17)7(16)6(15)4(3-14)19-9/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6-,7+,8-,9-/m1/s1 | Synonyms: | 1-D-glucopyranosyl-cytosine | Definition date: | 2007-11-16 | Last modified: | 2020-07-17 | Identifier: | 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one |
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| C3G | Name: | 4-nitrophenyl beta-D-glucopyranosiduronic acid | Formula: | C12 H13 N O9 | SMILES: | C(=O)(O)C1C(C(C(C(O1)Oc2ccc([N+](=O)[O-])cc2)O)O)O | InChi: | InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 | Synonyms: | 4-nitrophenyl beta-D-glucosiduronic acid | Definition date: | 2017-09-11 | Last modified: | 2020-07-17 | Release date: | 2017-12-20 | Identifier: | 4-nitrophenyl beta-D-glucopyranosiduronic acid |
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| C3X | Name: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside | Formula: | C8 H14 O6 | SMILES: | O(CC1OC1)C2OCC(O)C(O)C2O | InChi: | InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1 | Synonyms: | 2,3-EPOXYPROPYL-BETA-D-XYLOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside |
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| C4B | Name: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione | Formula: | C9 H13 N3 O8 | SMILES: | O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C9H13N3O8/c13-1-2-3(14)4(15)5(16)6(20-2)12-8(18)10-7(17)11-9(12)19/h2-6,13-16H,1H2,(H2,10,11,17,18,19)/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | 1-beta-D-glucosyl-1,3,5-triazinane-2,4,6-trione | Definition date: | 2007-11-18 | Last modified: | 2020-07-17 | Identifier: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione |
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| C4W | Name: | 1-azido-beta-N-acetyl-D-glucosamine | Formula: | C8 H14 N4 O5 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1N=[N+]=[N-] | InChi: | InChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1 | Definition date: | 2017-11-13 | Last modified: | 2020-07-17 | Release date: | 2018-07-11 | Identifier: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-azido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
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| C5X | Name: | 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside | Formula: | C10 H18 O6 | SMILES: | O(CCCC1OC1)C2OCC(O)C(O)C2O | InChi: | InChI=1S/C10H18O6/c11-7-5-16-10(9(13)8(7)12)14-3-1-2-6-4-15-6/h6-13H,1-5H2/t6-,7-,8+,9-,10-/m1/s1 | Synonyms: | 4,5-EPOXYPENTYL-BETA-D-XYLOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside |
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| 5TH | Name: | [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Formula: | C6 H12 O10 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1OSO | InChi: | InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)3(8)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5-,6+/m1/s1 | Synonyms: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate |
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| 5TJ | Name: | [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate | Formula: | C6 H12 O10 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1OSO | InChi: | InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)5(16-18(11,12)13)3(8)6(9)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | [(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | [(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate |
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| 5TK | Name: | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol | Formula: | C6 H12 O7 S | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1OSO | InChi: | InChI=1S/C6H12O7S/c7-1-2-5(13-14-11)3(8)4(9)6(10)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | (2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol |
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| 5TM | Name: | [(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Formula: | C6 H12 O10 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](OSO)[CH]1O | InChi: | InChI=1S/C6H12O10S2/c7-1-2-3(8)4(15-17-10)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | [(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | [(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate |
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| 604 | Name: | 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos
e | Formula: | C19 H21 Br N2 O10 S | SMILES: | Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O | InChi: | InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1 | Synonyms: | 5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m
ethyl-furan-3-carboxylic acid | Definition date: | 2016-01-07 | Last modified: | 2020-07-17 | Release date: | 2016-03-30 | Identifier: | 5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m
ethyl-furan-3-carboxylic acid |
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| 61J | Name: | (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol | Formula: | C8 H17 O7 P | SMILES: | C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O | InChi: | InChI=1S/C8H17O7P/c1-4-6(9)8(11)7(10)5(15-4)2-3-14-16(12)13/h4-11,16H,2-3H2,1H3,(H,12,13)/t4-,5-,6+,7+,8+/m0/s1 | Definition date: | 2016-01-13 | Last modified: | 2020-07-17 | Release date: | 2016-03-02 | Identifier: | (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol |
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| 62I | Name: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol | Formula: | C13 H24 N2 O11 S2 | SMILES: | C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N | InChi: | InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1 | Definition date: | 2015-05-21 | Last modified: | 2020-07-17 | Release date: | 2015-08-26 | Identifier: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol |
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