 | | TVV | | Name: | 3-O-prop-2-yn-1-yl-beta-D-galactopyranose | | Formula: | C9 H14 O6 | | SMILES: | C1(O)C(O)C(C(C(O1)CO)O)OCC#C | | InChi: | InChI=1S/C9H14O6/c1-2-3-14-8-6(11)5(4-10)15-9(13)7(8)12/h1,5-13H,3-4H2/t5-,6+,7-,8+,9-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3-O-prop-2-yn-1-yl-beta-D-galactopyranose |
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 | | 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 |
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 | | TVY | | Name: | (1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside | | Formula: | C14 H21 N O6 | | SMILES: | c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN | | InChi: | InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | (1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside |
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 | | 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 |
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 | | SOE | | Name: | alpha-L-sorbopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)(OCC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1 | | Synonyms: | alpha-L-sorbose | | Definition date: | 2010-05-14 | | Last modified: | 2020-07-17 | | Identifier: | alpha-L-sorbopyranose |
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 | | TW7 | | Name: | 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride | | Formula: | C6 H9 F3 O4 | | SMILES: | C1(F)C(F)(F)C(C(O)C(O1)CO)O | | InChi: | InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride |
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 | | UO4 | | Name: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile | | Formula: | C28 H25 N3 O4 | | SMILES: | c1c(c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)OCCN5C=CC(NC5=O)=O | | InChi: | InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33) | | Definition date: | 2020-05-25 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile |
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 | | SOG | | Name: | octyl 1-thio-beta-D-glucopyranoside | | Formula: | C14 H28 O5 S | | SMILES: | S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 | | Synonyms: | 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL | | Definition date: | 2003-01-21 | | Last modified: | 2020-07-17 | | Identifier: | octyl 1-thio-beta-D-glucopyranoside |
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 | | R2B | | Name: | 1,4-anhydro-D-erythro-pent-1-enitol | | Formula: | C5 H8 O4 | | SMILES: | OC1=COC(CO)C1O | | InChi: | InChI=1S/C5H8O4/c6-1-4-5(8)3(7)2-9-4/h2,4-8H,1H2/t4-,5+/m1/s1 | | Definition date: | 2005-05-11 | | Last modified: | 2020-07-17 | | Identifier: | 1,4-anhydro-D-erythro-pent-1-enitol |
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 | | TWA | | Name: | 2,3,4-tri-O-sulfo-beta-D-altropyranose | | Formula: | C6 H12 O15 S3 | | SMILES: | C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(=O)(=O)O)O)O | | InChi: | InChI=1S/C6H12O15S3/c7-1-2-3(19-22(9,10)11)4(20-23(12,13)14)5(6(8)18-2)21-24(15,16)17/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4-,5+,6-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2,3,4-tri-O-sulfo-beta-D-altropyranose |
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 | | SOJ | | Name: | ~{N}4-phenylbenzene-1,4-diamine | | Formula: | C12 H12 N2 | | SMILES: | Nc1ccc(Nc2ccccc2)cc1 | | InChi: | InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | ~{N}4-phenylbenzene-1,4-diamine |
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 | | PUF | | Name: | 6-deoxy-alpha-L-psicofuranose | | Formula: | C6 H12 O5 | | SMILES: | C(O)C1(C(C(O)C(O1)C)O)O | | InChi: | InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5-,6+/m0/s1 | | Synonyms: | 6-deoxy-alpha-L-psicose | | Definition date: | 2015-03-30 | | Last modified: | 2020-07-17 | | Release date: | 2016-03-23 | | Identifier: | 6-deoxy-alpha-L-psicofuranose |
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 | | TWD | | Name: | 2,3-di-O-sulfo-alpha-L-glucopyranose | | Formula: | C6 H12 O12 S2 | | SMILES: | C(C1C(C(C(C(O1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O | | InChi: | InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2,3-di-O-sulfo-alpha-L-glucopyranose |
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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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 | | R2G | | Name: | 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol | | Formula: | C5 H8 O3 | | SMILES: | OC[CH]1OC=C[CH]1O | | InChi: | InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1 | | Definition date: | 2009-12-09 | | Last modified: | 2020-07-17 | | Identifier: | (2~{S},3~{R})-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol |
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 | | RUU | | Name: | alpha-L-ribulofuranose | | Formula: | C5 H10 O5 | | SMILES: | OCC1(O)OCC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1 | | Synonyms: | alpha-L-ribulose | | Definition date: | 2013-12-05 | | Last modified: | 2020-07-17 | | Release date: | 2014-05-28 | | Identifier: | alpha-L-ribulofuranose |
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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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 | | SOR | | Name: | sorbitol | | Formula: | C6 H14 O6 | | SMILES: | OC(C(O)CO)C(O)C(O)CO | | InChi: | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 | | Synonyms: | D-sorbitol | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | D-glucitol |
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 | | TWJ | | Name: | 1-thio-beta-D-talopyranose | | Formula: | C6 H12 O5 S | | SMILES: | SC1OC(CO)C(C(O)C1O)O | | 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 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 1-thio-beta-D-talopyranose |
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 | | RGG | | Name: | (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside | | Formula: | C9 H18 O8 | | SMILES: | O(CC(O)CO)C1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1 | | Synonyms: | (2R)-glyceryl-beta-D-galactopyranoside | | Definition date: | 2009-02-19 | | Last modified: | 2020-07-17 | | Identifier: | (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside |
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 | | SA0 | | Name: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside | | Formula: | C13 H18 O7 | | SMILES: | O(c1c(cccc1)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 | | Synonyms: | Salicin | | Definition date: | 2011-10-14 | | Last modified: | 2020-07-17 | | Identifier: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside |
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 | | TWM | | Name: | 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | | Formula: | C19 H21 N3 O2 | | SMILES: | c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
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 | | SOV | | Name: | 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile | | Formula: | C12 H8 N2 O2 | | SMILES: | Cc1ccc(cc1C#N)N2C(=O)C=CC2=O | | InChi: | InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile |
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 | | TWP | | Name: | N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide | | Formula: | C16 H14 N2 O2 | | SMILES: | c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide |
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 | | TWS | | Name: | N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide | | Formula: | C18 H18 N2 O3 | | SMILES: | c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23 | | InChi: | InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide |
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