| FFC | Name: | 2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE | Formula: | C12 H21 F O10 | SMILES: | FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO | InChi: | InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12+/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose |
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| FFX | Name: | (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL | Formula: | C5 H8 F2 O4 | SMILES: | FC1OC(F)C(O)C(O)C1O | InChi: | InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+ | Definition date: | 2010-10-27 | Last modified: | 2020-07-17 | Identifier: | (2R,3S,4s,5R,6S)-2,6-difluorotetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
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| 1LL | Name: | thioditaloside | Formula: | C12 H22 O10 S | SMILES: | O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO | InChi: | InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11+,12+/m1/s1 | Synonyms: | beta-D-talopyranosyl 1-thio-beta-D-talopyranoside | Definition date: | 2013-03-19 | Last modified: | 2020-07-17 | Release date: | 2013-07-31 | Identifier: | beta-D-talopyranosyl 1-thio-beta-D-talopyranoside |
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| FIF | Name: | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid | Formula: | C6 H9 F O5 | SMILES: | FC1C(O)C(O)C(OC1)C(=O)O | InChi: | InChI=1S/C6H9FO5/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,8-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1 | Synonyms: | 2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form | Definition date: | 2013-05-07 | Last modified: | 2020-07-17 | Release date: | 2013-09-18 | Identifier: | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid |
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| FK9 | Name: | 3-(propylsulfanyl)propyl alpha-D-mannopyranoside | Formula: | C12 H24 O6 S | SMILES: | O(CCCSCCC)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C12H24O6S/c1-2-5-19-6-3-4-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1 | Synonyms: | PROPYL THIOPROPYL ALPHA-D-MANNOPYRANOSIDE | Definition date: | 2012-05-26 | Last modified: | 2020-07-17 | Identifier: | 3-(propylsulfanyl)propyl alpha-D-mannopyranoside |
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| FKD | Name: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Formula: | C9 H15 F O9 | SMILES: | O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO | InChi: | InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1 | Synonyms: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid | Definition date: | 2005-09-13 | Last modified: | 2020-07-17 | Identifier: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
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| FMF | Name: | 2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride | Formula: | C6 H10 F2 O4 | SMILES: | FC1C(O)C(O)C(OC1F)CO | InChi: | InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1 | Synonyms: | 2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE | Definition date: | 2003-09-08 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride |
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| E3M | Name: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol | Formula: | C10 H20 N2 O8 S | SMILES: | C1(OC(C(C(C1)N)NC(C)=O)C(C(CO)O)O)S(O)(=O)=O | InChi: | InChI=1S/C10H20N2O8S/c1-4(14)12-8-5(11)2-7(21(17,18)19)20-10(8)9(16)6(15)3-13/h5-10,13,15-16H,2-3,11H2,1H3,(H,12,14)(H,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1 | Synonyms: | (1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol | Definition date: | 2017-11-30 | Last modified: | 2020-07-17 | Release date: | 2018-03-07 | Identifier: | (1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
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| E5G | Name: | 5-hydroxypentyl alpha-D-glucopyranoside | Formula: | C11 H22 O7 | SMILES: | O(CCCCCO)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C11H22O7/c12-4-2-1-3-5-17-11-10(16)9(15)8(14)7(6-13)18-11/h7-16H,1-6H2/t7-,8-,9+,10-,11+/m1/s1 | Synonyms: | 5-hydroxypentyl alpha-D-glucoside | Definition date: | 2012-01-11 | Last modified: | 2020-07-17 | Identifier: | 5-hydroxypentyl alpha-D-glucopyranoside |
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| EAG | Name: | 2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | Formula: | C10 H20 N2 O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1OCCN)CO)C | InChi: | InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1 | Synonyms: | 2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside | Definition date: | 2008-01-23 | Last modified: | 2020-07-17 | Identifier: | 2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
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| EBG | Name: | 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside | Formula: | C10 H18 O7 | SMILES: | O(CCC1OC1)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1 | Synonyms: | 2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL | Definition date: | 2002-11-28 | Last modified: | 2020-07-17 | Identifier: | 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside |
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| EBQ | Name: | (3S)-3-hydroxybutyl alpha-D-glucopyranoside | Formula: | C10 H20 O7 | SMILES: | C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1 | Synonyms: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol | Definition date: | 2010-06-04 | Last modified: | 2020-07-17 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol |
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| JRV | Name: | methyl 6-S-beta-D-glucopyranosyl-6-thio-beta-D-glucopyranoside | Formula: | C13 H24 O10 S | SMILES: | C1(OC(C(O)C(C1O)O)SCC2OC(C(C(C2O)O)O)OC)CO | InChi: | InChI=1S/C13H24O10S/c1-21-12-10(19)8(17)7(16)5(22-12)3-24-13-11(20)9(18)6(15)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1 | Synonyms: | METHYL 6-THIO-BETA-GENTIOBIOSIDE | Definition date: | 2018-09-19 | Last modified: | 2020-07-17 | Release date: | 2019-05-29 | Identifier: | methyl 6-S-beta-D-glucopyranosyl-6-thio-beta-D-glucopyranoside |
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| JS2 | Name: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-
ribofuranose | Formula: | C14 H23 N5 O12 P2 | SMILES: | O=C3NC=Nc1c3nc(N)n1CCCCOP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O | InChi: | InChI=1S/C14H23N5O12P2/c15-14-18-8-11(16-6-17-12(8)22)19(14)3-1-2-4-28-32(24,25)31-33(26,27)29-5-7-9(20)10(21)13(23)30-7/h6-7,9-10,13,20-21,23H,1-5H2,(H2,15,18)(H,24,25)(H,26,27)(H,16,17,22)/t7-,9-,10-,13+/m1/s1 | Synonyms: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-
ribose | Definition date: | 2014-06-18 | Last modified: | 2020-07-17 | Release date: | 2015-05-13 | Identifier: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-
ribofuranose |
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| JSV | Name: | methyl 2-S-beta-D-glucopyranosyl-2-thio-beta-D-glucopyranoside | Formula: | C13 H24 O10 S | SMILES: | OC1C(OC(C(C1O)O)CO)SC2C(O)C(O)C(OC2OC)CO | InChi: | InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1 | Synonyms: | METHYL 2-THIO-BETA-SOPHOROSIDE | Definition date: | 2018-09-20 | Last modified: | 2020-07-17 | Release date: | 2019-05-29 | Identifier: | methyl 2-S-beta-D-glucopyranosyl-2-thio-beta-D-glucopyranoside |
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| JV4 | Name: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose | Formula: | C6 H12 F O8 P | SMILES: | C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O | InChi: | InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose | Definition date: | 2018-09-28 | Last modified: | 2020-07-17 | Release date: | 2019-07-31 | Identifier: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose |
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| JVA | Name: | 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol | Formula: | C7 H14 F O7 P | SMILES: | C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O | InChi: | InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1 | Definition date: | 2018-10-01 | Last modified: | 2020-07-17 | Release date: | 2019-07-31 | Identifier: | 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol |
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| JVS | Name: | 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose | Formula: | C7 H14 F O9 P | SMILES: | C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O | InChi: | InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1 | Synonyms: | 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose | Definition date: | 2018-10-04 | Last modified: | 2020-07-17 | Release date: | 2019-07-31 | Identifier: | 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
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| JZR | Name: | hexyl beta-D-glucopyranoside | Formula: | C12 H24 O6 | SMILES: | CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1 | Synonyms: | hexyl beta-D-glucoside | Definition date: | 2009-11-11 | Last modified: | 2020-07-17 | Identifier: | (2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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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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| 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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| K8Q | Name: | 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide | Formula: | C19 H18 Br I N4 O2 | SMILES: | Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12 | InChi: | InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27) | Definition date: | 2019-05-03 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide |
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| K99 | Name: | (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid | Formula: | C9 H14 F2 O8 | SMILES: | OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O | InChi: | InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1 | Synonyms: | (2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID | Definition date: | 2010-11-26 | Last modified: | 2020-07-17 | Identifier: | (2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
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| KBA | Name: | 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside | Formula: | C10 H17 N3 O5 | SMILES: | C[CH]1O[CH](OCCn2ccnn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C10H17N3O5/c1-6-7(14)8(15)9(16)10(18-6)17-5-4-13-3-2-11-12-13/h2-3,6-10,14-16H,4-5H2,1H3/t6-,7+,8+,9-,10+/m0/s1 | Synonyms: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol | Definition date: | 2018-06-28 | Last modified: | 2020-07-17 | Release date: | 2018-08-22 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol |
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| KBG | Name: | beta-D-arabino-hexopyranos-2-ulose | Formula: | C6 H10 O6 | SMILES: | O=C1C(O)OC(CO)C(O)C1O | InChi: | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1 | Synonyms: | 2-KETO-BETA-D-GLUCOSE | Definition date: | 2006-01-09 | Last modified: | 2020-07-17 | Identifier: | beta-D-arabino-hexopyranos-2-ulose |
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