 | | 0IU | | 表記: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d
imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide | | 組成式: | C34 H53 N5 O5 S | | SMILES: | O=C(N(C)C)CN(C(=O)CC(C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C)Cc2nc(sc2)N)C(c3ccccc3)C | | InChi: | InChI=1S/C34H53N5O5S/c1-22(2)16-29(40)32(43)28(17-24-12-8-6-9-13-24)37-33(44)26(18-27-21-45-34(35)36-27)19-30(41)39(20-31(42)38(4)5)23(3)25-14-10-7-11-15-25/h7,10-11,14-15,21-24,26,28-29,32,40,43H,6,8-9,12-13,16-20H2,1-5H3,(H2,35,36)(H,37,44)/t23-,26+,28-,29-,32+/m0/s1 | | 別名: | P2-P3 butanediamide renin inhibitor (1) | | 定義日: | 2008-11-12 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide |
|
 | | FER | | 表記: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID | | 組成式: | C10 H10 O4 | | SMILES: | O=C(O)C=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | | 別名: | FERULIC ACID | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
|
 | | FEZ | | 表記: | (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate | | 組成式: | C22 H30 O4 | | SMILES: | C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC(=O)c2ccc(O)cc2 | | InChi: | InChI=1S/C22H30O4/c1-15(2)19-11-13-22(4,25)12-5-6-16(3)14-20(19)26-21(24)17-7-9-18(23)10-8-17/h6-11,13,15,19-20,23,25H,5,12,14H2,1-4H3/b13-11-,16-6-/t19-,20+,22+/m1/s1 | | 別名: | FEROLINE | | 定義日: | 2016-03-03 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-03-08 | | 識別子(ID): | (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate |
|
 | | 0JM | | 表記: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo
xylic acid | | 組成式: | C17 H20 N2 O6 S | | SMILES: | O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C | | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1 | | 別名: | Carbenicillin | | 定義日: | 2012-08-13 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-12-14 | | 識別子(ID): | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
|
 | | FFO | | 表記: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid | | 組成式: | C20 H23 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O)O | | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1 | | 別名: | [6S]-5-FORMYL-TETRAHYDROFOLATE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid |
|
 | | FGG | | 表記: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate | | 組成式: | C20 H35 F O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O | | InChi: | InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19- | | 別名: | 2-fluoro-geranylgeranyl diphosphate | | 定義日: | 2010-10-22 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate |
|
 | | 0KZ | | 表記: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen
phosphate | | 組成式: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC32C(C(N1C=C(C(=O)NC1=O)C)CC2O)C3 | | InChi: | InChI=1S/C12H17N2O7P/c1-6-4-14(11(17)13-10(6)16)8-2-9(15)12(3-7(8)12)5-21-22(18,19)20/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)(H2,18,19,20)/t7-,8+,9+,12+/m1/s1 | | 別名: | 2'-exo-methanocarba-thymidine monophosphate | | 定義日: | 2012-02-07 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate |
|
 | | 0LA | | 表記: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid | | 組成式: | C15 H12 Cl N O2 | | SMILES: | O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C | | InChi: | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1 | | 別名: | (S)-carprofen | | 定義日: | 2012-02-13 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-01-18 | | 識別子(ID): | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
|
 | | 0LI | | 表記: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam
ide | | 組成式: | C29 H27 F3 N6 O | | SMILES: | FC(F)(F)c1cc(ccc1CN2CCN(C)CC2)NC(=O)c5cc(C#Cc3cnc4cccnn34)c(cc5)C | | InChi: | InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | | 別名: | Ponatinib | | 定義日: | 2009-08-06 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide |
|
 | | FHI | | 表記: | 2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID | | 組成式: | C13 H7 F2 I O3 | | SMILES: | Ic2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O | | InChi: | InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19) | | 別名: | IODODIFLUNISAL | | 定義日: | 2004-12-09 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-carboxylic acid |
|
 | | FHP | | 表記: | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID | | 組成式: | C15 H27 O4 P | | SMILES: | O=P(O)(O)C(O)/C=C(/CCC=C(/C)CCC=C(/C)C)C | | InChi: | InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1 | | 別名: | FARNESYL HYDROXYPHOSPHONATE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | [(1R,2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phosphonic acid |
|
 | | 0LY | | 表記: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | 組成式: | C17 H24 Br N3 O2 | | SMILES: | Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C | | InChi: | InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) | | 別名: | NBD-557 | | 定義日: | 2012-02-27 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-02-22 | | 識別子(ID): | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide |
|
 | | 0MO | | 表記: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one | | 組成式: | C15 H22 N2 O3 | | SMILES: | O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2 | | InChi: | InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 | | 別名: | 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone | | 定義日: | 2009-07-13 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one |
|
 | | GOX | | 表記: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL | | 組成式: | C6 H12 N2 O5 | | SMILES: | OC1C(O)C(O)C(=NO)NC1CO | | InChi: | InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1 | | 別名: | D-GLUCONHYDROXIMO-1,5-LACTAM | | 定義日: | 2000-08-23 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (2Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime |
|
 | | GP7 | | 表記: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate | | 組成式: | C36 H68 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7+,15-13+/t34-/m1/s1 | | 別名: | 1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine | | 定義日: | 2009-10-16 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (9E,12E)-hexadeca-9,12-dienoate |
|
 | | 0O8 | | 表記: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate | | 組成式: | C25 H53 N O4 P | | SMILES: | O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1 | | 別名: | PERIFOSINE | | 定義日: | 2012-03-29 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-10-26 | | 識別子(ID): | 4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium |
|
 | | 0OA | | 表記: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen
(S)-phosphate | | 組成式: | C35 H69 O10 P | | SMILES: | O=P(O)(OC2C(OCC1CCCCC1)CC(O)C(O)C2O)OCC(OC)COCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31+,32+,33-,34+,35+/m1/s1 | | 別名: | phosphatidylinositol ether lipid analogue 24 (PIA24) | | 定義日: | 2012-03-30 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-10-26 | | 識別子(ID): | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate |
|
 | | 0P1 | | 表記: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl
}-L-alaninamide | | 組成式: | C29 H40 N3 O9 P | | SMILES: | O=C(OC)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1 | | 別名: | Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe | | 定義日: | 2008-10-27 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamide |
|
 | | 0PI | | 表記: | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine | | 組成式: | C21 H33 N2 O8 P | | SMILES: | O=C(O)C(NC(=O)C(OP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C | | InChi: | InChI=1S/C21H33N2O8P/c1-14(2)10-17(20(25)26)23-19(24)18(11-15(3)4)31-32(28,29)13-22-21(27)30-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t17-,18-/m0/s1 | | 別名: | ZGP(O)LL | | 定義日: | 2008-09-14 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine |
|
 | | 0PX | | 表記: | N~1~-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N~2~-(quinolin-2-ylcar
bonyl)-L-aspartamide | | 組成式: | C34 H51 N5 O5 | | SMILES: | O=C(NCC(C)(C)C)C(C(C)C)CC(O)C(NC(=O)C(NC(=O)c1nc2ccccc2cc1)CC(=O)N)CC3CCCCC3 | | InChi: | InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1 | | 別名: | U92163 | | 定義日: | 2008-09-14 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N~1~-{(2S,3S,5S)-1-cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methylheptan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide |
|
 | | 0QF | | 表記: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp
holin-4-ylsulfonyl)-L-phenylalaninamide | | 組成式: | C31 H52 N4 O7 S2 | | SMILES: | O=S(=O)(N1CCOCC1)NC(C(=O)NC(SCC)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)Cc3ccccc3 | | InChi: | InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1 | | 別名: | PD-133,450 | | 定義日: | 2010-02-05 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide |
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 | | GSF | | 表記: | L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE | | 組成式: | C10 H17 N3 O8 S | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N | | InChi: | InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1 | | 別名: | GLUTATHIONE SULFINATE | | 定義日: | 2005-03-09 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | L-gamma-glutamyl-3-sulfino-L-alanylglycine |
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 | | 0R0 | | 表記: | 2-hydroxybenzonitrile | | 組成式: | C7 H5 N O | | SMILES: | N#Cc1ccccc1O | | InChi: | InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H | | 別名: | 2-Cyanophenol | | 定義日: | 2012-04-21 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-08-31 | | 識別子(ID): | 2-hydroxybenzonitrile |
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 | | GSM | | 表記: | L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE | | 組成式: | C11 H19 N3 O6 S | | SMILES: | O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC | | InChi: | InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 | | 別名: | S-METHYL-GLUTATHIONE | | 定義日: | 2005-07-15 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | L-gamma-glutamyl-S-methyl-L-cysteinylglycine |
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 | | GT0 | | 表記: | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol | | 組成式: | C9 H13 N O3 | | SMILES: | Oc1c(c(cnc1C)CO)COC | | InChi: | InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3 | | 別名: | ginkgotoxin | | 定義日: | 2012-04-13 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol |
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