| UT4 | Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one | Formula: | C19 H18 N2 O4 S | SMILES: | C2(C=C(N1CCNCC1)Oc3c2scc3c5ccc4OCCOc4c5)=O | InChi: | InChI=1S/C19H18N2O4S/c22-14-10-17(21-5-3-20-4-6-21)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11,20H,3-8H2 | Definition date: | 2020-06-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one |
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| KV9 | Name: | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide | Formula: | C26 H23 N3 O6 S | SMILES: | O1CCOc2c1cc(cc2C(=O)NCc3cnccc3)c4c5OC(=CC(=O)c5sc4)N6CCOCC6 | InChi: | InChI=1S/C26H23N3O6S/c30-20-12-22(29-4-6-32-7-5-29)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(31)28-14-16-2-1-3-27-13-16/h1-3,10-13,15H,4-9,14H2,(H,28,31) | Definition date: | 2020-06-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
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| NDX | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | Formula: | C44 H66 N9 O19 P3 | SMILES: | CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC(=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN(C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O | InChi: | InChI=1S/C44H66N9O19P3/c1-42(2,3)51-39(59)26-8-7-24-21-6-9-29-44(5,25(21)10-12-43(24,26)4)14-22(38(58)50-29)20-11-13-52(15-23(20)36(46)57)40-33(56)31(54)27(69-40)16-67-74(63,64)72-75(65,66)68-17-28-32(55)34(71-73(60,61)62)41(70-28)53-19-49-30-35(45)47-18-48-37(30)53/h11,13,15,18-22,24-29,31-34,40-41,54-56H,6-10,12,14,16-17H2,1-5H3,(H2,46,57)(H,50,58)(H,51,59)(H,63,64)(H,65,66)(H2,45,47,48)(H2,60,61,62)/t20-,21+,22+,24+,25+,26-,27-,28-,29-,31-,32-,33-,34-,40-,41-,43+,44-/m1/s1 | Definition date: | 2020-04-15 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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| J0V | Name: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid | Formula: | C19 H18 O6 S | SMILES: | c3c4c1c(c(C)c(o1)S(=O)(=O)O)C(=O)C(=O)c4c2c(C(C)(CCC2)C)c3 | InChi: | InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24) | Definition date: | 2018-08-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid |
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| KDN | Name: | deamino-beta-neuraminic acid | Formula: | C9 H16 O9 | SMILES: | O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1 | InChi: | InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1 | Synonyms: | beta-deaminoneuraminic acid | Definition date: | 2008-09-18 | Last modified: | 2020-07-17 | Identifier: | 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid |
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| Z3U | Name: | beta-D-Digitoxopyranose | Formula: | C6 H12 O4 | SMILES: | OC1C(OC(O)CC1O)C | InChi: | InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1 | Synonyms: | beta-D-Digitoxose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | 2,6-dideoxy-beta-D-ribo-hexopyranose |
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| Z4W | Name: | beta-D-lyxopyranose | Formula: | C5 H10 O5 | SMILES: | OC1C(O)COC(O)C1O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1 | Synonyms: | beta-D-lyxose | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | beta-D-lyxopyranose |
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| TS8 | Name: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose | Formula: | C14 H20 O9 S | SMILES: | O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C | InChi: | InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1 | Synonyms: | 3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL | Definition date: | 2011-02-24 | Last modified: | 2020-07-17 | Identifier: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose |
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| Z5J | Name: | beta-L-Olivopyranose | Formula: | C6 H12 O4 | SMILES: | OC1C(OC(O)CC1O)C | InChi: | InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m0/s1 | Synonyms: | beta-L-Olivose | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | 2,6-dideoxy-beta-L-arabino-hexopyranose |
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| TTV | Name: | beta-D-psicofuranose | Formula: | C6 H12 O6 | SMILES: | OC1(CO)OC(CO)C(O)C1O | InChi: | InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1 | Synonyms: | beta-D-psicose | Definition date: | 2020-03-30 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | beta-D-psicofuranose |
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| Z8H | Name: | beta-L-gulopyranose | 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-/m0/s1 | Synonyms: | beta-L-gulose | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | beta-L-gulopyranose |
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| Z8T | Name: | beta-L-glucopyranose | 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-/m0/s1 | Synonyms: | beta-L-glucose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | beta-L-glucopyranose |
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| Z9M | Name: | 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose | Formula: | C6 H14 N O8 P | SMILES: | O=P(O)(O)OC1C(OC(O)C(N)C1O)CO | InChi: | InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 | Synonyms: | 4-O-phosphono-beta-D-glucosamine | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2015-06-24 | Identifier: | 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose |
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| Z9W | Name: | 2-acetamido-2-deoxy-beta-D-quinovopyranose | Formula: | C8 H15 N O5 | SMILES: | O=C(NC1C(O)C(O)C(OC1O)C)C | InChi: | InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8-/m1/s1 | Synonyms: | 2-acetamido-2,6-deoxy-beta-D-glucopyranose | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | 2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose |
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| UAP | Name: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid | Formula: | C6 H8 O9 S | SMILES: | O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(O)C=1 | 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+/m0/s1 | Synonyms: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid |
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| 0MK | Name: | beta-L-ribopyranose | Formula: | C5 H10 O5 | SMILES: | C1(O)C(O)C(O)C(CO1)O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m0/s1 | Synonyms: | beta-L-ribose | Definition date: | 2012-03-01 | Last modified: | 2020-07-17 | Release date: | 2013-03-20 | Identifier: | beta-L-ribopyranose |
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| ZEE | Name: | beta-L-talopyranose | 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-/m0/s1 | Synonyms: | beta-L-talose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | beta-L-talopyranose |
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| 0NZ | Name: | 2-deoxy-6-O-phosphono-beta-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-beta-D-arabino-hexopyranose | Definition date: | 2012-08-17 | Last modified: | 2020-07-17 | Release date: | 2013-06-12 | Identifier: | 2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose |
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| X0X | Name: | beta-D-talopyranuronic acid | Formula: | C6 H10 O7 | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6+/m0/s1 | Synonyms: | beta-D-taluronic acid | Definition date: | 2015-03-30 | Last modified: | 2020-07-17 | Release date: | 2015-12-23 | Identifier: | beta-D-talopyranuronic acid |
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| UEA | Name: | beta-D-sorbofuranose | Formula: | C6 H12 O6 | SMILES: | OC1(C(C(C(O1)CO)O)O)CO | InChi: | InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | Synonyms: | beta-D-sorbose | Definition date: | 2020-05-09 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | beta-D-sorbofuranose |
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| XGP | Name: | 1-O-phosphono-beta-D-glucopyranose | Formula: | C6 H13 O9 P | SMILES: | O=P(O)(OC1OC(C(O)C(O)C1O)CO)O | InChi: | InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | 1-O-phosphono-beta-D-glucose | Definition date: | 2009-10-07 | Last modified: | 2020-07-17 | Identifier: | 1-O-phosphono-beta-D-glucopyranose |
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| XYP | Name: | beta-D-xylopyranose | Formula: | C5 H10 O5 | SMILES: | OC1C(O)COC(O)C1O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 | Synonyms: | beta-D-xylose | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | beta-D-xylopyranose |
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| XYZ | Name: | beta-D-xylofuranose | 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-xylose | Definition date: | 2004-06-10 | Last modified: | 2020-07-17 | Identifier: | beta-D-xylofuranose |
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| YIO | Name: | 1-thio-beta-D-galactopyranose | Formula: | C6 H12 O5 S | SMILES: | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O | 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 | Synonyms: | (2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL | Definition date: | 2011-05-16 | Last modified: | 2020-07-17 | Identifier: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol |
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| YYK | Name: | beta-D-quinovopyranose | Formula: | C6 H12 O5 | SMILES: | OC1C(O)C(OC(O)C1O)C | InChi: | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | beta-D-quinovoose | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | 6-deoxy-beta-D-glucopyranose |
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