 | | 852 | | 表記: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | | 組成式: | C34 H35 N3 O9 | | SMILES: | O=C(O)C(C(=O)O)c1c(C(=O)O)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1 | | 別名: | RU85052 | | 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-carboxyphenyl}propanedioic acid |
|
 | | 85X | | 表記: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | | 組成式: | C24 H18 N4 O | | SMILES: | Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36 | | InChi: | InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | | 別名: | Go 6976 | | 定義日: | 2017-04-21 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-10-11 |
|
 | | OTP | | 表記: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE | | 組成式: | C40 H68 O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C | | InChi: | InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+ | | 別名: | OCTAPRENYL PYROPHOSPHATE | | 定義日: | 2004-12-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate |
|
 | | 881 | | 表記: | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | | 組成式: | C38 H40 N8 O3 | | SMILES: | n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N | | InChi: | InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46) | | 別名: | DB1880 | | 定義日: | 2010-08-24 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide |
|
 | | OVE | | 表記: | 2'-O-(sulfidophosphinato)adenosine | | 組成式: | C10 H14 N5 O6 P S | | SMILES: | [O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO | | InChi: | InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1 | | 別名: | ADENOSINE-2'-MONOPHOSPHOROTHIOATE | | 定義日: | 2012-10-29 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-07-10 | | 識別子（ID）: | 2'-O-(sulfidophosphinato)adenosine |
|
 | | 8BD | | 表記: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid | | 組成式: | C11 H13 N O4 | | SMILES: | O=C(O)CCON=C/c1ccccc1OC | | InChi: | InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8- | | 別名: | (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid | | 定義日: | 2009-04-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid |
|
 | | 760 | | 表記: | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | | 組成式: | C20 H20 N2 | | SMILES: | n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4 | | InChi: | InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22) | | 別名: | 9-N-PHENYLMETHYLAMINO-TACRINE | | 定義日: | 1999-12-20 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-benzyl-1,2,3,4-tetrahydroacridin-9-amine |
|
 | | 76R | | 表記: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese | | 組成式: | C36 H36 Mn N4 O8 | | SMILES: | OC(=O)CCC1=C(C)C=3N2=C1C=C8N7[Mn]25n4c(C=3)c(CCC(O)=O)c(C)c4C=C6N5=C(C(=C6CCC(=O)O)C)C=C7C(=C8CCC(O)=O)C | | InChi: | InChI=1S/C36H38N4O8.Mn/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29 | | 別名: | Manganese-Coproporphyrin III | | 定義日: | 2016-09-07 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-01-18 | | 識別子（ID）: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese |
|
 | | 773 | | 表記: | CETHROMYCIN | | 組成式: | C42 H59 N3 O10 | | SMILES: | O=C4C(C(OC1OC(CC(N(C)C)C1O)C)C(OCC=Cc2cc3ccccc3nc2)(C)CC(C(=O)C(C)C5NC(=O)OC5(C)C(OC(=O)C4C)CC)C)C | | InChi: | InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1 | | 別名: | ABT-773 | | 定義日: | 2003-02-10 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-quinolin-3-ylprop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
|
 | | 777 | | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid | | 組成式: | C12 H19 N6 O7 P | | SMILES: | CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23 | | InChi: | InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1 | | 別名: | D-Trp-G | | 定義日: | 2016-06-28 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-06-28 | | 識別子（ID）: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid |
|
 | | 780 | | 表記: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE | | 組成式: | C20 H16 N4 O | | SMILES: | [O-]c4c(c1ccccc1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N | | InChi: | InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24) | | 別名: | CRA_7806 | | 定義日: | 2003-03-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}biphenyl-2-olate |
|
 | | 785 | | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | | 組成式: | C15 H11 F3 N4 O2 | | SMILES: | FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | | InChi: | InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22) | | 別名: | CRA_9785 | | 定義日: | 2003-03-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate |
|
 | | P12 | | 表記: | 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM | | 組成式: | C16 H29 N5 O2 | | SMILES: | [N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2 | | InChi: | InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2 | | 別名: | RBT205 INHIBITOR | | 定義日: | 2003-12-19 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium |
|
 | | 78M | | 表記: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE | | 組成式: | C18 H34 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCCC | | InChi: | InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1 | | 別名: | 7.8 MONOACYLGLYCEROL | | 定義日: | 2012-01-19 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | (2S)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate |
|
 | | P16 | | 表記: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | | 組成式: | C21 H16 Cl2 N4 O2 | | SMILES: | Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C | | InChi: | InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | | 別名: | PD166326 | | 定義日: | 2003-03-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one |
|
 | | P17 | | 表記: | 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | | 組成式: | C21 H16 Cl2 N4 O S | | SMILES: | Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C | | InChi: | InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | | 別名: | PD173955 | | 定義日: | 2002-07-31 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one |
|
 | | 78N | | 表記: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE | | 組成式: | C18 H34 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCCC | | InChi: | InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m1/s1 | | 別名: | 7.8 MONOACYLGLYCEROL (2R) | | 定義日: | 2012-01-19 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | (2R)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate |
|
 | | 78P | | 表記: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium | | 組成式: | C13 H16 N4 O | | SMILES: | O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3 | | InChi: | InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | | 別名: | Veliparib | | 定義日: | 2007-10-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide |
|
 | | P1S | | 表記: | (6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL | | 組成式: | C17 H14 O6 | | SMILES: | O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO | | InChi: | InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1 | | 別名: | PISATIN | | 定義日: | 2005-04-28 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol |
|
 | | 799 | | 表記: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide | | 組成式: | C24 H28 N8 O2 | | SMILES: | C(N)(C(C)(C)n5cc(c1cc2c(cc1)c3n(CCO2)cc(n3)c4nc(C)nn4C(C)C)cn5)=O | | InChi: | InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33) | | 別名: | taselisib | | 定義日: | 2016-09-13 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-01-11 | | 識別子（ID）: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide |
|
 | | 79A | | 表記: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile | | 組成式: | C17 H12 F3 N O4 S | | SMILES: | N#Cc1cc(cc(c1)F)Oc2ccc(c3c2CC(C3O)(F)F)S(C)(=O)=O | | InChi: | InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1 | | 別名: | PT2385 | | 定義日: | 2016-09-14 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-09-21 | | 識別子（ID）: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile |
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 | | P2E | | 表記: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid | | 組成式: | C20 H32 O5 | | SMILES: | O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O | | InChi: | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | | 別名: | Prostaglandin E2 | | 定義日: | 2009-06-04 | | 最終更新日: | 2021-03-01 | | 公開日: | 2014-07-23 | | 識別子（ID）: | (5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid |
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 | | P2S | | 表記: | (2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID | | 組成式: | C9 H19 N2 O8 P S | | SMILES: | O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1 | | 別名: | N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID | | 定義日: | 2004-02-13 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid |
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 | | 7AN | | 表記: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide | | 組成式: | C12 H14 N2 O | | SMILES: | CC(=O)NCCc1c[nH]c2ccccc12 | | InChi: | InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15) | | 別名: | N-acetyltryptamine | | 定義日: | 2016-06-24 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-07-05 | | 識別子（ID）: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide |
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 | | 7AP | | 表記: | (1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL | | 組成式: | C9 H12 N6 O2 | | SMILES: | n1c2c(ncc1C(O)C(O)C)nc(nc2N)N | | InChi: | InChI=1S/C9H12N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h2-3,6,16-17H,1H3,(H4,10,11,12,14,15)/t3-,6+/m0/s1 | | 別名: | 4-AMINOBIOPTERIN | | 定義日: | 2006-03-07 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (1S,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol |
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