 | | YRF | | 表記: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid | | 組成式: | C25 H28 F N5 O6 S | | SMILES: | C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(F)c5 | | InChi: | InChI=1S/C25H28FN5O6S/c1-13(31-12-16(37-25(31)34)11-30-9-15(27)10-30)17-4-3-5-18-21(23(24(32)33)28-22(17)18)14-6-7-20(19(26)8-14)29-38(2,35)36/h3-8,13,15-16,28-29H,9-12,27H2,1-2H3,(H,32,33)/t13-,16?/m0/s1 | | 定義日: | 2023-06-20 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | U3I | | 表記: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione | | 組成式: | C22 H29 N3 O4 | | SMILES: | CCN1CCCCC1C(C)Oc1cc2CN(C3CCC(=O)NC3=O)C(=O)c2cc1 | | InChi: | InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19+/m1/s1 | | 定義日: | 2023-08-29 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione |
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 | | A1L1V | | 表記: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 組成式: | C22 H32 O3 | | SMILES: | C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(C)C)C(O)=O)c23 | | InChi: | InChI=1S/C22H32O3/c1-14-8-11-22(12-9-14)13-10-16-7-6-15(2)17(18(16)22)19(20(23)24)25-21(3,4)5/h6-7,14,19H,8-13H2,1-5H3,(H,23,24)/t14-,19?,22- | | 定義日: | 2024-05-21 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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 | | A1L1W | | 表記: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 組成式: | C30 H45 N O4 | | SMILES: | C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4 | | InChi: | InChI=1S/C30H45NO4/c1-19-12-15-30(16-13-19)17-14-22-23(27(32)31-21-10-8-6-7-9-11-21)18-20(2)24(25(22)30)26(28(33)34)35-29(3,4)5/h18-19,21,26H,6-17H2,1-5H3,(H,31,32)(H,33,34)/t19-,26?,30- | | 定義日: | 2024-05-21 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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 | | A1LXA | | 表記: | L-2-keto-3-deoxyfuconate | | 組成式: | C6 H10 O5 | | SMILES: | C[CH]1O[C](O)(C[CH]1O)C(O)=O | | InChi: | InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1 | | 別名: | (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid | | 定義日: | 2024-01-31 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
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 | | JCV | | 表記: | [(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate | | 組成式: | C98 H193 O19 P | | SMILES: | C[CH]1CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](COCC[CH](C)CCC1)CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | | InChi: | InChI=1S/C98H193O19P/c1-70-29-17-33-74(5)41-25-49-82(13)57-61-110-66-86(68-114-98-96(107)90(101)89(100)88(65-99)116-98)112-63-59-84(15)51-27-43-76(7)35-19-31-72(3)39-23-47-80(11)55-56-81(12)48-24-40-73(4)32-20-36-77(8)44-28-52-85(16)60-64-113-87(69-115-118(108,109)117-97-94(105)92(103)91(102)93(104)95(97)106)67-111-62-58-83(14)50-26-42-75(6)34-18-30-71(2)38-22-46-79(10)54-53-78(9)45-21-37-70/h70-107H,17-69H2,1-16H3,(H,108,109)/t70-,71-,72-,73-,74+,75+,76+,77+,78-,79-,80-,81-,82+,83+,84+,85+,86-,87-,88+,89+,90-,91-,92-,93+,94+,95+,96+,97-,98+/m0/s1 | | 定義日: | 2023-08-07 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | [(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate |
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 | | A1APZ | | 表記: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one | | 組成式: | C23 H22 Cl F3 N4 O3 S | | SMILES: | FC(F)(F)CCCn1c2ccc(Cl)cc2nc1CN1c2ccccc2C2(CN(C2)S(C)(=O)=O)C1=O | | InChi: | InChI=1S/C23H22ClF3N4O3S/c1-35(33,34)29-13-22(14-29)16-5-2-3-6-18(16)31(21(22)32)12-20-28-17-11-15(24)7-8-19(17)30(20)10-4-9-23(25,26)27/h2-3,5-8,11H,4,9-10,12-14H2,1H3 | | 定義日: | 2024-04-26 | | 最終更新日: | 2024-07-05 | | 公開日: | 2024-07-10 | | 識別子（ID）: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one |
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 | | ZX4 | | 表記: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine | | 組成式: | C25 H32 N10 O6 S | | SMILES: | O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1 | | 定義日: | 2023-04-17 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
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 | | W3O | | 表記: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide | | 組成式: | C15 H27 N2 O2 Si | | SMILES: | O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1 | | InChi: | InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1 | | 定義日: | 2023-09-22 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 1-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium |
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 | | W3X | | 表記: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide | | 組成式: | C14 H16 N2 O2 | | SMILES: | NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1 | | InChi: | InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18) | | 定義日: | 2023-09-22 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide |
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 | | W46 | | 表記: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide | | 組成式: | C14 H16 N2 O2 | | SMILES: | NC(=O)C=1CC=CN(Cc2ccc(CO)cc2)C=1 | | InChi: | InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18) | | 定義日: | 2023-09-22 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide |
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 | | W4F | | 表記: | 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol | | 組成式: | C18 H22 O5 | | SMILES: | COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O | | InChi: | InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3 | | 別名: | Erianin | | 定義日: | 2023-09-20 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol |
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 | | YJU | | 表記: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | 組成式: | C24 H27 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)C1CCC(CO)CC1 | | InChi: | InChI=1S/C24H27F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-5,10-12,14,16,32,34H,6-9,13H2,1-2H3,(H,29,33)/t14-,16- | | 定義日: | 2023-12-04 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | YK0 | | 表記: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | 組成式: | C24 H21 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1 | | InChi: | InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33) | | 定義日: | 2023-12-04 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | ZMX | | 表記: | (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide | | 組成式: | C28 H24 N4 O3 | | SMILES: | CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1 | | InChi: | InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33) | | 定義日: | 2023-06-29 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide |
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 | | A1IBD | | 表記: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | | 組成式: | C10 H16 N2 O2 S | | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | | 定義日: | 2024-05-10 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
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 | | A1IBE | | 表記: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide | | 組成式: | C9 H13 F N2 O3 S | | SMILES: | NC[CH](O)CN[S](=O)(=O)c1ccccc1F | | InChi: | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 | | 定義日: | 2024-05-10 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
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 | | A1IBQ | | 表記: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide | | 組成式: | C14 H14 F2 N2 O2 S | | SMILES: | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 | | InChi: | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 | | 定義日: | 2024-05-14 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
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 | | Y9T | | 表記: | N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | 組成式: | C22 H25 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)CCC(C)(C)O | | InChi: | InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30) | | 定義日: | 2023-11-28 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | V00 | | 表記: | ~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide | | 組成式: | C26 H29 F N2 O2 | | SMILES: | COc1cc2ccccc2c(c1)[CH](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4 | | InChi: | InChI=1S/C26H29FN2O2/c1-18(25-16-23(31-2)15-21-7-3-4-9-24(21)25)29-12-10-20(11-13-29)26(30)28-17-19-6-5-8-22(27)14-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H,28,30)/t18-/m1/s1 | | 定義日: | 2023-06-30 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | ~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide |
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 | | P5R | | 表記: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | | 組成式: | C34 H70 O18 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2 | | 定義日: | 2023-08-22 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
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 | | P8R | | 表記: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane | | 組成式: | C24 H50 O12 | | SMILES: | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | | InChi: | InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3 | | 定義日: | 2023-08-24 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane |
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 | | G8I | | 表記: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid | | 組成式: | C6 H12 O3 | | SMILES: | O=C(O)C(O)C(C)(C)C | | InChi: | InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1 | | 定義日: | 2023-07-20 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid |
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 | | GHO | | 表記: | (1R)-1-hydroxyethane-1-sulfonic acid | | 組成式: | C2 H6 O4 S | | SMILES: | CC(O)S(=O)(=O)O | | InChi: | InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1 | | 定義日: | 2023-07-20 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | (1R)-1-hydroxyethane-1-sulfonic acid |
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 | | GIW | | 表記: | 1,3-dithiane-2-carboxylic acid | | 組成式: | C5 H8 O2 S2 | | SMILES: | O=C(O)C1SCCCS1 | | InChi: | InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7) | | 定義日: | 2023-07-20 | | 最終更新日: | 2024-06-28 | | 公開日: | 2024-07-03 | | 識別子（ID）: | 1,3-dithiane-2-carboxylic acid |
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