| A1H0P | Name: | 3-O-sulfo-alpha-D-mannopyranose | Formula: | C6 H12 O9 S | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O | InChi: | InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6+/m1/s1 | Synonyms: | [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate | Definition date: | 2023-12-16 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | [(2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate |
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| NOJ | Name: | 1-DEOXYNOJIRIMYCIN | Formula: | C6 H13 N O4 | SMILES: | OC1C(NCC(O)C1O)CO | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | Synonyms: | MORANOLINE | Definition date: | 1999-07-08 | Last modified: | 2024-08-16 | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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| A1H1V | Name: | 3-O-sulfo-alpha-L-idopyranuronic acid | Formula: | C6 H10 O10 S | SMILES: | O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O | InChi: | InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1 | Synonyms: | O3-SULFO-GLUCURONIC ACID | Definition date: | 2024-01-09 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid |
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| NJL | Name: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one | Formula: | C19 H14 F2 N2 O3 | SMILES: | CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(O)cc3 | InChi: | InChI=1S/C19H14F2N2O3/c1-23-17(7-4-11-2-5-13(24)6-3-11)22-16(19(23)26)10-12-8-14(20)18(25)15(21)9-12/h2-10,24-25H,1H3/b7-4+,16-10- | Definition date: | 2023-01-17 | Last modified: | 2024-06-14 | Release date: | 2024-06-19 | Identifier: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one |
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| VDF | Name: | 2-O-phosphono-beta-L-arabinopyranose | Formula: | C5 H11 O8 P | SMILES: | O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O | InChi: | InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1 | Synonyms: | 2-O-phosphono-beta-L-arabinose | Definition date: | 2023-03-01 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S})-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate |
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| XY9 | Name: | 2,3,4-tri-O-sulfo-beta-D-xylopyranose | Formula: | C5 H10 O14 S3 | SMILES: | OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O | InChi: | InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1 | Definition date: | 2022-08-09 | Last modified: | 2023-11-06 | Release date: | 2023-07-12 | Identifier: | 2,3,4-tri-O-sulfo-beta-D-xylopyranose |
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| 55I | Name: | 4-(trifluoromethyl)-L-phenylalanine | Formula: | C10 H10 F3 N O2 | SMILES: | FC(F)(F)c1ccc(CC(N)C(=O)O)cc1 | InChi: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | Definition date: | 2021-07-16 | Last modified: | 2023-11-03 | Release date: | 2021-09-29 | Identifier: | 4-(trifluoromethyl)-L-phenylalanine |
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| TBG | Name: | 3-methyl-L-valine | Formula: | C6 H13 N O2 | SMILES: | O=C(O)C(N)C(C)(C)C | InChi: | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-methyl-L-valine |
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| TDD | Name: | (2R)-2-amino-3,3-dimethyl-butanoic acid | Formula: | C6 H13 N O2 | SMILES: | O=C(O)C(N)C(C)(C)C | InChi: | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1 | Synonyms: | D-tert-leucine | Definition date: | 2008-06-02 | Last modified: | 2023-11-03 | Identifier: | 3-methyl-D-valine |
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| TDF | Name: | 4-(trifluoromethyl)-D-phenylalanine | Formula: | C10 H10 F3 N O2 | SMILES: | FC(F)(F)c1ccc(cc1)CC(C(=O)O)N | InChi: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1 | Definition date: | 2011-09-15 | Last modified: | 2023-11-03 | Identifier: | 4-(trifluoromethyl)-D-phenylalanine |
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| YYQ | Name: | 2-acetamido-2-deoxy-alpha-L-galactopyranose | Formula: | C8 H15 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1 | Synonyms: | N-acetyl-alpha-L-galactosamine | Definition date: | 2012-12-17 | Last modified: | 2023-09-20 | Release date: | 2020-07-29 | Identifier: | 2-(acetylamino)-2-deoxy-alpha-L-galactopyranose |
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| RTV | Name: | 2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol | Formula: | C8 H15 N O5 | SMILES: | OC1C(C(NC(C)=O)COC1CO)O | InChi: | InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1 | Definition date: | 2020-02-25 | Last modified: | 2023-09-20 | Release date: | 2020-07-29 | Identifier: | 2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol |
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| Z4Y | Name: | 6-thio-alpha-D-mannopyranose | Formula: | C6 H12 O5 S | SMILES: | OC1C(O)C(OC(O)C1O)CS | InChi: | InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1 | Synonyms: | 6-thio-alpha-D-mannose | Definition date: | 2012-12-17 | Last modified: | 2023-08-03 | Release date: | 2018-08-01 | Identifier: | 6-thio-alpha-D-mannopyranose |
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| LAO | Name: | 2-O-phosphono-alpha-L-arabinopyranose | Formula: | C5 H11 O8 P | SMILES: | O=P(OC1C(O)C(O)COC1O)(O)O | InChi: | InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1 | Synonyms: | 2-O-phosphono-alpha-L-arabinose | Definition date: | 2014-02-27 | Last modified: | 2023-01-10 | Release date: | 2015-08-19 | Identifier: | 2-O-phosphono-alpha-L-arabinopyranose |
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| UBH | Name: | 3-O-methyl-alpha-D-rhamnopyranose | Formula: | C7 H14 O5 | SMILES: | OC1C(OC)C(O)C(C)OC1O | InChi: | InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m1/s1 | Synonyms: | 6-deoxy-3-O-methyl-alpha-D-mannopyranose | Definition date: | 2022-08-16 | Last modified: | 2022-09-16 | Release date: | 2022-09-21 | Identifier: | 6-deoxy-3-O-methyl-alpha-D-mannopyranose |
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| UBO | Name: | beta-D-rhamnopyranose | Formula: | C6 H12 O5 | SMILES: | OC1C(O)C(C)OC(O)C1O | 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: | 6-deoxy-beta-D-mannopyranose | Definition date: | 2022-08-16 | Last modified: | 2022-09-16 | Release date: | 2022-09-21 | Identifier: | 6-deoxy-beta-D-mannopyranose |
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| OQ6 | Name: | methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Formula: | C28 H25 Cl N8 O3 | SMILES: | Clc1cc(c(cc1)n1cnnn1)c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1 | InChi: | InChI=1S/C28H25ClN8O3/c1-40-28(38)32-23-8-4-19(5-9-23)21-14-31-35(15-21)27(12-18-2-3-18)26-10-6-20(16-37(26)39)24-13-22(29)7-11-25(24)36-17-30-33-34-36/h4-11,13-18,27H,2-3,12H2,1H3,(H,32,38)/t27-/m1/s1 | Definition date: | 2022-05-12 | Last modified: | 2022-07-29 | Release date: | 2022-08-03 | Identifier: | methyl (4-{1-[(1R)-1-{(5P)-5-[(2M)-5-chloro-2-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}phenyl)carbamate |
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| 7SR | Name: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide | Formula: | C30 H33 Br N4 O3 | SMILES: | CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5 | InChi: | InChI=1S/C30H33BrN4O3/c1-3-20(2)28-29(37)33(18-23-9-6-8-22-7-4-5-10-25(22)23)19-26-34(16-15-27(36)35(26)28)30(38)32-17-21-11-13-24(31)14-12-21/h4-14,20,26,28H,3,15-19H2,1-2H3,(H,32,38)/t20-,26+,28-/m0/s1 | Definition date: | 2021-10-21 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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| UE8 | Name: | 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one | Formula: | C10 H12 N4 O2 S | SMILES: | O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13 | InChi: | InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1 | Synonyms: | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one | Definition date: | 2021-02-11 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one |
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| 7IE | Name: | Flupyradifurone | Formula: | C12 H11 Cl F2 N2 O2 | SMILES: | FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2 | InChi: | InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2 | Synonyms: | 3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one | Definition date: | 2021-08-05 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one |
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| 5II | Name: | methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside | Formula: | C8 H16 O5 | SMILES: | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C | InChi: | InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1 | Definition date: | 2021-08-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol |
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| 7RT | Name: | N-methyl-1H-indole-4-carboxamide | Formula: | C10 H10 N2 O | SMILES: | CNC(=O)c1cccc2[nH]ccc12 | InChi: | InChI=1S/C10H10N2O/c1-11-10(13)8-3-2-4-9-7(8)5-6-12-9/h2-6,12H,1H3,(H,11,13) | Definition date: | 2021-08-23 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | ~{N}-methyl-1~{H}-indole-4-carboxamide |
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| PA1 | Name: | 2-amino-2-deoxy-alpha-D-glucopyranose | Formula: | C6 H13 N O5 | SMILES: | OC1C(O)C(OC(O)C1N)CO | InChi: | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | alpah-D-glucosamine | Definition date: | 1999-07-08 | Last modified: | 2021-08-24 | Identifier: | 2-amino-2-deoxy-alpha-D-glucopyranose |
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| XKJ | Name: | dodecyl beta-D-glucopyranoside | Formula: | C18 H36 O6 | SMILES: | C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O | InChi: | InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | dodecyl beta-D-glucopyranoside |
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| 98W | Name: | dimethyl 5-oxidanylbenzene-1,3-dicarboxylate | Formula: | C10 H10 O5 | SMILES: | COC(=O)c1cc(O)cc(c1)C(=O)OC | InChi: | InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3 | Definition date: | 2017-04-28 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | dimethyl 5-oxidanylbenzene-1,3-dicarboxylate |
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