 | X8W | 表記: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one | 組成式: | C15 H12 O5 | SMILES: | O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2 | InChi: | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H | 別名: | NARINGENIN CHALCONE | 定義日: | 2014-04-24 | 最終更新日: | 2021-03-01 | 公開日: | 2015-04-08 | 識別子(ID): | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
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 | 903 | 表記: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID | 組成式: | C35 H36 F N3 O9 | SMILES: | O=C(O)C(F)(C(=O)O)c1c(C(=O)OC)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C35H36FN3O9/c1-21(40)37-29(19-23-13-16-27(26(18-23)32(43)48-2)35(36,33(44)45)34(46)47)30(41)38-28-10-6-7-17-39(31(28)42)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-29H,6-7,10,17,19-20H2,1-2H3,(H,37,40)(H,38,41)(H,44,45)(H,46,47)/t28-,29-/m0/s1 | 別名: | RU90395 | 定義日: | 2003-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(methoxycarbonyl)phenyl}(fluoro)propanedioic acid |
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 | 907 | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE | 組成式: | C16 H14 Br N3 O | SMILES: | Brc3cc(cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C | InChi: | InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19) | 別名: | CRA_9076 | 定義日: | 2003-03-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-bromo-4-methylphenolate |
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 | XAM | 表記: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside | 組成式: | C44 H60 Cl2 N4 O14 | SMILES: | O=C(OC1C(OC)C(OC(C)C1OC(=O)N)N2C(=O)C(=C(O)C2C(C)C)C(=O)C6C(C=CC5C(OC3OC(C(O)C(O)(C3)C(NC(=O)c4c(Cl)c(Cl)c(n4)C)C)C)CC/C(=C)C56)C)C | InChi: | InChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,53-54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1 | 別名: | Amycolamicin | 定義日: | 2012-04-11 | 最終更新日: | 2021-03-01 | 公開日: | 2014-07-16 | 識別子(ID): | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside |
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 | 917 | 表記: | N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide | 組成式: | C15 H15 N3 O3 S | SMILES: | c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O | InChi: | InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1 | 別名: | Llinezolid-114 | 定義日: | 2017-03-24 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-20 | 識別子(ID): | N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide |
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 | SU9 | 表記: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE | 組成式: | C13 H11 N3 O2 | SMILES: | O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2 | InChi: | InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4- | 別名: | SU9516 | 定義日: | 2003-05-27 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one |
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 | SUA | 表記: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER | 組成式: | C13 H14 N2 O3 S3 | SMILES: | O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2 | InChi: | InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17) | 別名: | Carbonic Anhydrase II inhibitor 16923 | 定義日: | 2002-06-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate |
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 | D05 | 表記: | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE | 組成式: | C20 H15 Cl3 N4 O3 | SMILES: | Clc1cc(Cl)cc(Cl)c1n4nc(c2c4N=C(NC2=O)Cc3ccc(O)c(O)c3)CC | InChi: | InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30) | 別名: | DIN-232305 | 定義日: | 2005-09-28 | 最終更新日: | 2021-03-01 | 識別子(ID): | 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | D0F | 表記: | (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid | 組成式: | C23 H32 N2 O4 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3 | InChi: | InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1 | 別名: | N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine | 定義日: | 2019-05-29 | 最終更新日: | 2021-03-01 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
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 | D0R | 表記: | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide | 組成式: | C32 H45 N5 O3 S | SMILES: | O=C(NC(Cc1ccccc1)CC(O)C(N)Cc2ccccc2)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C | InChi: | InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1 | 別名: | desthiazolylmethyloxycarbonyl ritonavir | 定義日: | 2011-08-26 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
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 | D19 | 表記: | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | 組成式: | C24 H28 N4 O | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5 | InChi: | InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+ | 別名: | FURAMIDINE DERIVATIVE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopropylmethanediamine) |
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 | D1V | 表記: | 2-mercapto(3H)quinazolinone | 組成式: | C8 H6 N2 O S | SMILES: | O=C1c2c(N=C(S)N1)cccc2 | InChi: | InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) | 別名: | 2-sulfanylquinazolin-4(3H)-one | 定義日: | 2008-05-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-sulfanylquinazolin-4(3H)-one |
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 | D23 | 表記: | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | 組成式: | C19 H19 F3 N4 | SMILES: | FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C | InChi: | InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26) | 別名: | DIN-234325 | 定義日: | 2005-09-28 | 最終更新日: | 2021-03-01 | 識別子(ID): | 6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine |
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 | SYN | 表記: | ethenylbenzene | 組成式: | C8 H8 | SMILES: | C=Cc1ccccc1 | InChi: | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 | 別名: | styrene | 定義日: | 2012-10-15 | 最終更新日: | 2021-03-01 | 公開日: | 2013-05-01 | 識別子(ID): | ethenylbenzene |
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 | D42 | 表記: | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | 組成式: | C21 H23 N7 O2 S | SMILES: | O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C | InChi: | InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30) | 別名: | DPH-042562 | 定義日: | 2005-09-28 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-methylpiperazin-1-yl)urea |
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 | D4F | 表記: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate | 組成式: | C21 H20 N7 O9 P S2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O | InChi: | InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1 | 別名: | Luciferyl adenylate | 定義日: | 2019-06-25 | 最終更新日: | 2021-03-01 | 公開日: | 2020-05-27 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate |
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 | D50 | 表記: | N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine | 組成式: | C23 H30 N2 O5 | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)CC(C)C | InChi: | InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1 | 別名: | Bestatin derivative 7d | 定義日: | 2011-01-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine |
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 | D65 | 表記: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 組成式: | C14 H12 F7 N5 S | SMILES: | FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C | InChi: | InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 | 別名: | DSM265 | 定義日: | 2014-12-09 | 最終更新日: | 2021-03-01 | 公開日: | 2015-07-29 | 識別子(ID): | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | D66 | 表記: | N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine | 組成式: | C17 H26 N2 O5 | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C | InChi: | InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1 | 別名: | Bestatin-derivative 7c | 定義日: | 2011-01-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine |
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 | T22 | 表記: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile | 組成式: | C18 H21 N5 O2 | SMILES: | N#Cc1ccccc1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C | InChi: | InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | 別名: | Alogliptin | 定義日: | 2009-02-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile |
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 | D7P | 表記: | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE | 組成式: | C15 H25 N7 O4 | SMILES: | O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O | InChi: | InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 | 別名: | D-PHENYLALANINE-D-NITROARGININE AMIDE | 定義日: | 2003-12-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide |
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 | D7S | 表記: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid | 組成式: | C27 H42 O3 | SMILES: | O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1 | 別名: | (25S)-delta7-dafachronic acid | 定義日: | 2011-11-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid |
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 | T5C | 表記: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | 組成式: | C32 H39 N2 O12 S4 | SMILES: | O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O | InChi: | InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1 | 別名: | TETRASULFOCYANINE | 定義日: | 2006-12-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium |
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 | T5F | 表記: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid | 組成式: | C25 H44 N4 O5 S | SMILES: | NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O | InChi: | InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1 | 別名: | tafCPB | 定義日: | 2016-09-28 | 最終更新日: | 2021-03-01 | 公開日: | 2016-10-26 | 識別子(ID): | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid |
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 | T5O | 表記: | 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) | 組成式: | C10 H15 N2 O9 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(OC)=C1)CC2O | InChi: | InChI=1S/C10H15N2O9P/c1-19-6-3-12(10(15)11-9(6)14)8-2-5(13)7(21-8)4-20-22(16,17)18/h3,5,7-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,7+,8+/m0/s1 | 別名: | 5-methoxy-2'-deoxyuridine-5'-phosphate | 定義日: | 2009-08-05 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) |
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