 | | SVD | | Name: | (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one | | Formula: | C8 H16 N2 O2 | | SMILES: | CN1N(O)[CH](CC1=O)C(C)(C)C | | InChi: | InChI=1S/C8H16N2O2/c1-8(2,3)6-5-7(11)9(4)10(6)12/h6,12H,5H2,1-4H3/t6-/m1/s1 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one |
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 | | SVG | | Name: | (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine | | Formula: | C14 H13 Cl N2 | | SMILES: | CC(=NCc1cccnc1)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+ | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine |
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 | | SVJ | | Name: | (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine | | Formula: | C8 H16 N2 | | SMILES: | CN1[CH]2CC[CH]1C[CH](N)C2 | | InChi: | InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8- | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine |
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 | | SVM | | Name: | 1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea | | Formula: | C15 H21 N3 S | | SMILES: | S=C(NCCc1ccccn1)N[CH]2C[CH]3CC[CH]2C3 | | InChi: | InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12+,14+/m0/s1 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea |
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 | | SW7 | | Name: | 4-methylbenzamide | | Formula: | C8 H9 N O | | SMILES: | Cc1ccc(cc1)C(N)=O | | InChi: | InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10) | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-methylbenzamide |
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 | | SWE | | Name: | alpha-D-fructofuranosyl alpha-D-glucopyranoside | | Formula: | C12 H22 O11 | | SMILES: | O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO | | InChi: | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1 | | Definition date: | 2009-09-17 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-fructofuranosyl alpha-D-glucopyranoside |
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 | | SZZ | | Name: | Sinigrin | | Formula: | C10 H17 N O9 S2 | | SMILES: | OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1 | | Definition date: | 2016-11-16 | | Last modified: | 2020-07-17 | | Release date: | 2017-07-05 | | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]
(1~{E})-~{N}-sulfooxybut-3-enimidothioate |
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 | | AXP | | Name: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol | | Formula: | C10 H20 N O9 P | | SMILES: | O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO | | InChi: | InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1 | | Synonyms: | 4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE) | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | (1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol |
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 | | AXR | | Name: | methyl alpha-D-arabinofuranoside | | Formula: | C6 H12 O5 | | SMILES: | OC1C(OC(OC)C1O)CO | | InChi: | InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1 | | Synonyms: | 1-O-methyl-alpha-D-arabinofuranoside | | Definition date: | 2009-06-03 | | Last modified: | 2020-07-17 | | Identifier: | methyl alpha-D-arabinofuranoside |
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 | | AY9 | | Name: | Ascopyrone M | | Formula: | C6 H8 O4 | | SMILES: | O=C1C(O)=CC(OC1)CO | | InChi: | InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1 | | Definition date: | 2011-11-15 | | Last modified: | 2020-07-17 | | Identifier: | (6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one |
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 | | AZC | | Name: | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine | | Formula: | C9 H16 N2 O7 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C | | InChi: | InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1 | | Synonyms: | N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA | | Definition date: | 2001-09-21 | | Last modified: | 2020-07-17 | | Identifier: | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine |
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 | | B0D | | Name: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | | Formula: | C6 H10 F2 O5 | | SMILES: | FC1OC(F)(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1 | | Definition date: | 2009-08-18 | | Last modified: | 2020-07-17 | | Identifier: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
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 | | B16 | | Name: | 1,6-di-O-phosphono-beta-D-glucopyranose | | Formula: | C6 H14 O12 P2 | | SMILES: | O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1 | | Synonyms: | 1,6-di-O-phosphono-beta-D-glucose | | Definition date: | 2011-12-06 | | Last modified: | 2020-07-17 | | Identifier: | 1,6-di-O-phosphono-beta-D-glucopyranose |
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 | | B1H | | Name: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol | | Formula: | C14 H17 N4 O7 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O | | InChi: | InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1 | | Synonyms: | [4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl
]-oxidanyl-oxidanylidene-azanium | | Definition date: | 2017-09-05 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-28 | | Identifier: | [4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl
]-oxidanyl-oxidanylidene-azanium |
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 | | B1N | | Name: | (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol | | Formula: | C14 H17 N3 O6 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3 | | InChi: | InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1 | | Synonyms: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol | | Definition date: | 2017-09-05 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-28 | | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol |
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 | | B2G | | Name: | GALACTOBIOSE | | Formula: | C12 H22 O11 | | SMILES: | O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11-,12+/m1/s1 | | Synonyms: | BETA-1,4-GALACTOBIOSIDE | | Definition date: | 2003-10-23 | | Last modified: | 2020-07-17 | | Identifier: | 4-O-beta-D-galactopyranosyl-beta-D-galactopyranose |
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 | | TM5 | | Name: | THIO-MALTOPENTAOSE | | Formula: | C30 H52 O23 S3 | | SMILES: | S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO | | InChi: | InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose |
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 | | TM6 | | Name: | THIO-MALTOHEXAOSE | | Formula: | C36 H62 O28 S3 | | SMILES: | S(C3C(OC(OC2C(O)C(O)C(SC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(SC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO | | InChi: | InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranose |
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 | | TMR | | Name: | 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose | | Formula: | C7 H14 O3 S | | SMILES: | S(C1C(OC(O)CC1O)C)C | | InChi: | InChI=1S/C7H14O3S/c1-4-7(11-2)5(8)3-6(9)10-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1 | | Synonyms: | 2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose |
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 | | TMX | | Name: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose | | Formula: | C9 H20 N O5 | | SMILES: | OC1OC(C(O)C(O)C1[N+](C)(C)C)CO | | InChi: | InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1 | | Synonyms: | 2-deoxy-2-(trimethylammonio)-beta-D-glucose | | Definition date: | 2010-09-02 | | Last modified: | 2020-07-17 | | Identifier: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose |
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 | | B4G | | Name: | GALACTOTRIOSE | | Formula: | C18 H32 O16 | | SMILES: | O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1 | | Synonyms: | BETA-1,4-GALACTOTRIOSIDE | | Definition date: | 2003-10-23 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose |
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 | | TNX | | Name: | 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol | | Formula: | C8 H13 N O4 S | | SMILES: | C=1OC(C(C(C=1NC(=S)C)O)O)CO | | InChi: | InChI=1S/C8H13NO4S/c1-4(14)9-5-3-13-6(2-10)8(12)7(5)11/h3,6-8,10-12H,2H2,1H3,(H,9,14)/t6-,7-,8-/m1/s1 | | Synonyms: | N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide | | Definition date: | 2015-12-18 | | Last modified: | 2020-07-17 | | Release date: | 2016-10-26 | | Identifier: | 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol |
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 | | TOA | | Name: | 3-ammonio-3-deoxy-alpha-D-glucopyranose | | Formula: | C6 H14 N O5 | | SMILES: | OC1C([NH3+])C(O)C(OC1O)CO | | InChi: | InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1 | | Synonyms: | 3-DEOXY-3-AMINO GLUCOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 3-ammonio-3-deoxy-alpha-D-glucopyranose |
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 | | TOC | | Name: | 2,6-diammonio-2,3,6-trideoxy-alpha-D-glucopyranose | | Formula: | C6 H16 N2 O3 | | SMILES: | OC1C(OC(O)C([NH3+])C1)C[NH3+] | | InChi: | InChI=1S/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6+/m1/s1 | | Synonyms: | 2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 2,6-diammonio-2,3,6-trideoxy-alpha-D-ribo-hexopyranose |
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 | | B6D | | Name: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C | | InChi: | InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1 | | Synonyms: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose | | Definition date: | 2008-05-01 | | Last modified: | 2020-07-17 | | Identifier: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose |
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