 | | YYM | | 表記: | alpha-D-ribopyranose | | 組成式: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1 | | 別名: | alpha-D-ribose | | 定義日: | 2012-12-17 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | alpha-D-ribopyranose |
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 | | YZ0 | | 表記: | methyl beta-D-mannopyranoside | | 組成式: | C7 H14 O6 | | SMILES: | OC1C(O)C(O)C(OC1OC)CO | | InChi: | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1 | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | methyl beta-D-mannopyranoside |
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 | | Z0F | | 表記: | alpha-L-idopyranose | | 組成式: | 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 | | 別名: | alpha-L-idose | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | alpha-L-idopyranose |
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 | | Z15 | | 表記: | (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol | | 組成式: | C12 H15 Cl O7 | | SMILES: | Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O | | InChi: | InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1 | | 定義日: | 2010-07-01 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol |
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 | | Z16 | | 表記: | (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol | | 組成式: | C12 H15 Cl O7 | | SMILES: | Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O | | InChi: | InChI=1S/C12H15ClO7/c13-6-2-4(15)1-5(8(6)16)12-11(19)10(18)9(17)7(3-14)20-12/h1-2,7,9-12,14-19H,3H2/t7-,9-,10+,11-,12+/m1/s1 | | 定義日: | 2010-07-01 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol |
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 | | Z2D | | 表記: | alpha-L-allopyranose | | 組成式: | 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 | | 別名: | alpha-L-allose | | 定義日: | 2012-12-17 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | alpha-L-allopyranose |
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 | | Z2T | | 表記: | (1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol | | 組成式: | C13 H17 Cl O7 | | SMILES: | Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O | | InChi: | InChI=1S/C13H17ClO7/c1-20-5-2-6(9(16)7(14)3-5)13-12(19)11(18)10(17)8(4-15)21-13/h2-3,8,10-13,15-19H,4H2,1H3/t8-,10-,11+,12-,13+/m1/s1 | | 定義日: | 2010-07-01 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol |
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 | | Z3K | | 表記: | (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol | | 組成式: | C12 H19 N O10 S | | SMILES: | O=S(=O)(N)C1OC(C(O)C(OC(=O)C)C1OC(=O)C)COC(=O)C | | InChi: | InChI=1S/C12H19NO10S/c1-5(14)20-4-8-9(17)10(21-6(2)15)11(22-7(3)16)12(23-8)24(13,18)19/h8-12,17H,4H2,1-3H3,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1 | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol |
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 | | Z3L | | 表記: | 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose | | 組成式: | C14 H20 O10 | | SMILES: | O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C | | InChi: | InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1 | | 定義日: | 2012-12-17 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose |
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 | | Z3Q | | 表記: | 2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | 組成式: | C10 H18 N4 O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1OCCN=[N+]=[N-])CO)C | | InChi: | InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1 | | 別名: | 2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside | | 定義日: | 2012-12-20 | | 最終更新日: | 2020-07-17 | | 公開日: | 2016-03-23 | | 識別子（ID）: | 2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
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 | | Z3U | | 表記: | beta-D-Digitoxopyranose | | 組成式: | C6 H12 O4 | | SMILES: | OC1C(OC(O)CC1O)C | | InChi: | InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1 | | 別名: | beta-D-Digitoxose | | 定義日: | 2012-12-17 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | 2,6-dideoxy-beta-D-ribo-hexopyranose |
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 | | Z4R | | 表記: | methyl 3-thio-alpha-D-mannopyranoside | | 組成式: | C7 H14 O5 S | | SMILES: | OC1C(S)C(O)C(OC1OC)CO | | InChi: | InChI=1S/C7H14O5S/c1-11-7-5(10)6(13)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1 | | 定義日: | 2012-12-19 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | methyl 3-thio-alpha-D-mannopyranoside |
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 | | Z4U | | 表記: | methyl 4-thio-alpha-D-xylopyranoside | | 組成式: | C6 H12 O4 S | | SMILES: | OC1C(O)C(S)COC1OC | | InChi: | InChI=1S/C6H12O4S/c1-9-6-5(8)4(7)3(11)2-10-6/h3-8,11H,2H2,1H3/t3-,4+,5-,6+/m1/s1 | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | methyl 4-thio-alpha-D-xylopyranoside |
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 | | Z4V | | 表記: | 4-thio-beta-L-ribopyranose | | 組成式: | C5 H10 O4 S | | SMILES: | OC1C(S)COC(O)C1O | | InChi: | InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3-,4-,5-/m0/s1 | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | 4-thio-beta-L-ribopyranose |
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 | | Z4W | | 表記: | beta-D-lyxopyranose | | 組成式: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1 | | 別名: | beta-D-lyxose | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | beta-D-lyxopyranose |
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 | | Z57 | | 表記: | (1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol | | 組成式: | C12 H15 Br O7 | | SMILES: | Brc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O | | InChi: | InChI=1S/C12H15BrO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1 | | 定義日: | 2010-07-01 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol |
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 | | Z5L | | 表記: | methyl 2-thio-alpha-D-mannopyranoside | | 組成式: | C7 H14 O5 S | | SMILES: | SC1C(O)C(O)C(OC1OC)CO | | InChi: | InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1 | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | methyl 2-thio-alpha-D-mannopyranoside |
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 | | Z61 | | 表記: | 2-deoxy-alpha-D-arabino-hexopyranose | | 組成式: | C6 H12 O5 | | SMILES: | OC1C(OC(O)CC1O)CO | | InChi: | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1 | | 別名: | 2-deoxy-alpha-D-glucopyranose | | 定義日: | 2012-12-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-29 | | 識別子（ID）: | 2-deoxy-alpha-D-arabino-hexopyranose |
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 | | 6C7 | | 表記: | S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate | | 組成式: | C5 H12 O6 P2 S | | SMILES: | OP(O)(OP(O)(SCC=C(C)C)=O)=O | | InChi: | InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8) | | 別名: | DMASPP | | 定義日: | 2016-03-09 | | 最終更新日: | 2020-07-15 | | 公開日: | 2016-05-11 | | 識別子（ID）: | S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate |
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 | | TYC | | 表記: | L-TYROSINAMIDE | | 組成式: | C9 H12 N2 O2 | | SMILES: | O=C(N)C(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1 | | 定義日: | 2004-12-06 | | 最終更新日: | 2020-07-15 | | 識別子（ID）: | L-tyrosinamide |
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 | | KUT | | 表記: | KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl] | | 組成式: | C35 H63 N3 O12 | | SMILES: | OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O | | InChi: | InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1 | | 定義日: | 2019-06-28 | | 最終更新日: | 2020-07-10 | | 公開日: | 2020-07-15 | | 識別子（ID）: | 18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid |
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 | | KXQ | | 表記: | 1~{H}-indole-7-carboxylic acid | | 組成式: | C9 H7 N O2 | | SMILES: | OC(=O)c1cccc2cc[nH]c12 | | InChi: | InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12) | | 定義日: | 2019-07-03 | | 最終更新日: | 2020-07-10 | | 公開日: | 2020-07-15 | | 識別子（ID）: | 1~{H}-indole-7-carboxylic acid |
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 | | KZ2 | | 表記: | 1-benzothiophene-7-carboxylic acid | | 組成式: | C9 H6 O2 S | | SMILES: | OC(=O)c1cccc2ccsc12 | | InChi: | InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11) | | 定義日: | 2019-07-05 | | 最終更新日: | 2020-07-10 | | 公開日: | 2020-07-15 | | 識別子（ID）: | 1-benzothiophene-7-carboxylic acid |
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 | | L4B | | 表記: | (4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)-
3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid | | 組成式: | C27 H38 O4 | | SMILES: | CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)[CH]2CC[C]4(C)[CH]3Cc5c(O)c(O)cc(C(O)=O)c45 | | InChi: | InChI=1S/C27H38O4/c1-24(2)9-6-10-25(3)18(24)7-11-26(4)19(25)8-12-27(5)20(26)14-15-21(27)16(23(30)31)13-17(28)22(15)29/h13,18-20,28-29H,6-12,14H2,1-5H3,(H,30,31)/t18-,19+,20-,25-,26+,27-/m1/s1 | | 別名: | merosterolic acid A | | 定義日: | 2019-07-19 | | 最終更新日: | 2020-07-10 | | 公開日: | 2020-07-15 | | 識別子（ID）: | (4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)-3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid |
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 | | L4E | | 表記: | geranylgeranyl dihydroxybenzoate | | 組成式: | C27 H38 O4 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O | | InChi: | InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+ | | 定義日: | 2019-07-19 | | 最終更新日: | 2020-07-10 | | 公開日: | 2020-07-15 | | 識別子（ID）: | 3,4-bis(oxidanyl)-5-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid |
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