 | | KXH | | Name: | ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate | | Formula: | C16 H19 Cl2 N3 O2 | | SMILES: | CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2 | | InChi: | InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3 | | Definition date: | 2019-07-03 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate |
|
 | | PSV | | Name: | alpha-D-psicofuranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC1(O)CO)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: | alpha-D-psicose | | Definition date: | 2009-09-10 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-psicofuranose |
|
 | | TUG | | Name: | 3,4-di-O-sulfo-alpha-D-altropyranose | | Formula: | C6 H12 O12 S2 | | SMILES: | OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)(O)=O)O)O | | InChi: | InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5+,6+/m1/s1 | | Definition date: | 2020-03-31 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3,4-di-O-sulfo-alpha-D-altropyranose |
|
 | | SMV | | Name: | thiophene-2-carbothioamide | | Formula: | C5 H5 N S2 | | SMILES: | NC(=S)c1sccc1 | | InChi: | InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7) | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | thiophene-2-carbothioamide |
|
 | | RTG | | Name: | 6-O-phosphono-alpha-L-idopyranose | | Formula: | C6 H13 O9 P | | SMILES: | O=P(O)(OCC1OC(C(C(C1O)O)O)O)O | | InChi: | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5+,6+/m0/s1 | | Definition date: | 2020-02-25 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 6-O-phosphono-alpha-L-idopyranose |
|
 | | TUJ | | Name: | 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose | | Formula: | C6 H12 O18 S4 | | SMILES: | OCC1OC(C(C(C1OS(O)(=O)=O)OS(=O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O | | InChi: | InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4-,5-,6-/m1/s1 | | Definition date: | 2020-03-31 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose |
|
 | | TUP | | Name: | 3-deoxy-3-fluoro-alpha-D-glucopyranose | | Formula: | C6 H11 F O5 | | SMILES: | FC1C(C(O)OC(C1O)CO)O | | InChi: | InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6+/m1/s1 | | Definition date: | 2020-03-31 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3-deoxy-3-fluoro-alpha-D-glucopyranose |
|
 | | SN4 | | Name: | 6-methoxypyridine-3-carbothioamide | | Formula: | C7 H8 N2 O S | | SMILES: | COc1ccc(cn1)C(N)=S | | InChi: | InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11) | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 6-methoxypyridine-3-carbothioamide |
|
 | | TUR | | Name: | 3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose | | Formula: | C12 H22 O11 | | SMILES: | O(C1C(O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O | | InChi: | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 | | Definition date: | 2011-11-01 | | Last modified: | 2020-07-17 | | Identifier: | 3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose |
|
 | | SN5 | | Name: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose | | Formula: | C8 H15 N O5 S | | SMILES: | S=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1 | | Synonyms: | N-ethanethioyl-beta-D-glucosamine | | Definition date: | 2009-06-04 | | Last modified: | 2020-07-17 | | Identifier: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose |
|
 | | QMZ | | Name: | [(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone | | Formula: | C20 H23 N5 O4 | | SMILES: | COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34 | | InChi: | InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1 | | Definition date: | 2020-07-06 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | [(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone |
|
 | | M3M | | Name: | 3-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose | | Formula: | C12 H22 O11 | | SMILES: | O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1 | | Definition date: | 2009-03-17 | | Last modified: | 2020-07-17 | | Identifier: | 3-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose |
|
 | | M3N | | Name: | 4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole | | Formula: | C9 H15 N3 O6 | | SMILES: | n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9+/m1/s1 | | Synonyms: | 4-(hydroxymethyl)-1-(alpha-D-mannosyl)-1H-1,2,3-triazole | | Definition date: | 2014-05-02 | | Last modified: | 2020-07-17 | | Release date: | 2014-12-17 | | Identifier: | 4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole |
|
 | | SNG | | Name: | methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside | | Formula: | C9 H17 N O5 Se | | SMILES: | O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C | | InChi: | InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1 | | Synonyms: | METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2002-12-20 | | Last modified: | 2020-07-17 | | Identifier: | methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside |
|
 | | SNJ | | Name: | 2,5-diphenyl-4~{H}-pyrazol-3-one | | Formula: | C15 H12 N2 O | | SMILES: | O=C1CC(=NN1c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 2,5-diphenyl-4~{H}-pyrazol-3-one |
|
 | | TVD | | Name: | N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine | | Formula: | C10 H18 N2 O6 | | SMILES: | O=C(C)NC1C(O)C(O)C(OC1NC(C)=O)CO | | InChi: | InChI=1S/C10H18N2O6/c1-4(14)11-7-9(17)8(16)6(3-13)18-10(7)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9-,10-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine |
|
 | | MXY | | Name: | 2-O-methyl-beta-L-fucopyranose | | Formula: | C7 H14 O5 | | SMILES: | O(C)C1C(O)C(O)C(OC1O)C | | InChi: | InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1 | | Synonyms: | 2-O-METHYL FUCOSE | | Definition date: | 1999-11-08 | | Last modified: | 2020-07-17 | | Identifier: | 6-deoxy-2-O-methyl-beta-L-galactopyranose |
|
 | | TVG | | Name: | propyl beta-D-galactofuranoside | | Formula: | C9 H18 O6 | | SMILES: | OC1C(OC(C1O)OCCC)C(CO)O | | InChi: | InChI=1S/C9H18O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | propyl beta-D-galactofuranoside |
|
 | | MXZ | | Name: | 2-O-methyl-alpha-L-fucopyranose | | Formula: | C7 H14 O5 | | SMILES: | O(C)C1C(O)C(O)C(OC1O)C | | InChi: | InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | | Synonyms: | 6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPYRANOSE | | Definition date: | 2003-04-15 | | Last modified: | 2020-07-17 | | Identifier: | 6-deoxy-2-O-methyl-alpha-L-galactopyranose |
|
 | | 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 |
|
 | | SNV | | Name: | 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol | | Formula: | C12 H19 N3 O | | SMILES: | Nc1ccccc1N2CCN(CCO)CC2 | | InChi: | InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol |
|
 | | RUG | | Name: | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole | | Formula: | C9 H15 N3 O6 | | SMILES: | n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1 | | Synonyms: | 1-beta-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole | | Definition date: | 2009-02-05 | | Last modified: | 2020-07-17 | | Identifier: | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole |
|
 | | TVM | | Name: | 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose | | Formula: | C14 H20 O7 | | SMILES: | C2(O)C(OCc1cc(ccc1)OC)C(C(OC2CO)O)O | | InChi: | InChI=1S/C14H20O7/c1-19-9-4-2-3-8(5-9)7-20-13-11(16)10(6-15)21-14(18)12(13)17/h2-5,10-18H,6-7H2,1H3/t10-,11+,12-,13+,14-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose |
|
 | | TVS | | Name: | prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside | | Formula: | C11 H19 N O6 | | SMILES: | CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O | | InChi: | InChI=1S/C11H19NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9-,10-,11-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
|
 | | SO7 | | Name: | (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide | | Formula: | C14 H18 N2 O4 | | SMILES: | CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)cc2 | | InChi: | InChI=1S/C14H18N2O4/c1-15(20-3)14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide |
|
