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0T1
0T1
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate
組成式:C22 H38 N7 O16 P3
SMILES:O=C(NCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C22H38N7O16P3/c1-4-6-24-13(30)5-7-25-20(33)17(32)22(2,3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1
別名:DETHIACOENZYME A
定義日:2012-05-29
最終更新日:2020-06-17
公開日:2013-05-22
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-(propylamino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
0TR
0TR
表記:2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE
組成式:C7 H6 O2
SMILES:OC1=CC=CC=CC1=O
InChi:InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
別名:TROPOLONE
定義日:2011-02-17
最終更新日:2020-06-17
識別子（ID）:2-hydroxycyclohepta-2,4,6-trien-1-one
9HD
9HD
表記:1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one
組成式:C29 H43 N5 O5
SMILES:C1=CN(C(C1)=O)C(CC(CC(N2C(CCC2)=O)CCN3C(=O)CCC3)N4C(CCC4)=O)CCN5C(CCC5)=O
InChi:InChI=1S/C29H43N5O5/c35-25-6-1-13-30(25)18-11-22(32-15-3-8-27(32)37)20-24(34-17-5-10-29(34)39)21-23(33-16-4-9-28(33)38)12-19-31-14-2-7-26(31)36/h3,15,22-24H,1-2,4-14,16-21H2/t22-,23-,24-/m1/s1
別名:Polyvinylpyrrolidone K15
定義日:2017-05-11
最終更新日:2020-06-17
公開日:2018-02-07
識別子（ID）:1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one
9HF
9HF
表記:1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
組成式:C22 H25 N3 O2
SMILES:Cc1cc2c(cc1n3nnc4cc(ccc34)C(O)=O)C(C)(C)CCC2(C)C
InChi:InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)
別名:1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid
定義日:2018-04-27
最終更新日:2020-06-17
公開日:2019-02-27
識別子（ID）:1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
9HL
9HL
表記:N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine
組成式:C19 H20 F N5
SMILES:Fc1cccc(c1)C2CC2CNCCc3nc(ncc3)n4ccnc4
InChi:InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2/t15-,18-/m0/s1
別名:2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)-N-(2-(3-FLUOROPHENYL)CYCLOPROPYLMETHYL)ETHAN-1-AMINE
定義日:2014-10-21
最終更新日:2020-06-17
公開日:2014-12-24
識別子（ID）:N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine
0VR
0VR
表記:1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate
組成式:C12 H18 N O9 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O
InChi:InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11-/m0/s1
別名:1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol
定義日:2012-07-13
最終更新日:2020-06-17
公開日:2012-11-30
識別子（ID）:1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol
FID
FID
表記:(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
組成式:C12 H10 F N3 O4
SMILES:Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
別名:FIDARESTAT
定義日:2000-02-14
最終更新日:2020-06-17
識別子（ID）:(2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide
FIL
FIL
表記:(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME
組成式:C15 H20 N2 O4
SMILES:COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O
InChi:InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+
別名:FILAMINAST
定義日:2004-11-17
最終更新日:2020-06-17
識別子（ID）:[1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino] carbamate
FIV
FIV
表記:naphthalene-2-carboxylic acid
組成式:C11 H8 O2
SMILES:O=C(O)c2ccc1c(cccc1)c2
InChi:InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
別名:2-naphthoic acid
定義日:2012-04-10
最終更新日:2020-06-17
公開日:2013-02-15
識別子（ID）:naphthalene-2-carboxylic acid
0WU
0WU
表記:(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
組成式:C10 H14 O
SMILES:O=C1C(=CCC(C(=C)C)C1)C
InChi:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
別名:S-carvone
定義日:2012-08-03
最終更新日:2020-06-17
公開日:2012-08-24
識別子（ID）:(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
FJA
FJA
表記:Fusicoccin J aglycone
組成式:C21 H34 O4
SMILES:O(C)CC3C2=CC1(C(=C(C(C)C)CC1O)C(O)C(O)C(C2CC3)C)C
InChi:InChI=1S/C21H34O4/c1-11(2)15-8-17(22)21(4)9-16-13(10-25-5)6-7-14(16)12(3)19(23)20(24)18(15)21/h9,11-14,17,19-20,22-24H,6-8,10H2,1-5H3/b16-9-/t12-,13-,14+,17+,19-,20-,21+/m1/s1
別名:(1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclop enta[a,d][8]annulene-1,4,5-triol
定義日:2011-07-06
最終更新日:2020-06-17
識別子（ID）:(1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulene-1,4,5-triol
FL1
FL1
表記:5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID
組成式:C29 H23 N3 O7 S2
SMILES:O=S(=O)(N)c1ccc(cc1)CCNC(=S)Nc5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5
InChi:InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)
別名:(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN
定義日:2005-11-18
最終更新日:2020-06-17
識別子（ID）:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)benzoic acid
FLD
FLD
表記:BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE
組成式:C42 H48 N6 O2
SMILES:O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CC[NH2+]CCCCCC[NH2+]CC[n+]5cc8c(cc5)ccc7c8c6c(ccc(OC)c6)n7)C
InChi:InChI=1S/C42H44N6O2/c1-49-31-9-13-37-33(25-31)41-35-27-47(21-15-29(35)7-11-39(41)45-37)23-19-43-17-5-3-4-6-18-44-20-24-48-22-16-30-8-12-40-42(36(30)28-48)34-26-32(50-2)10-14-38(34)46-40/h7-16,21-22,25-28,43-44H,3-6,17-20,23-24H2,1-2H3/p+4
別名:FLEXI-DI
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2,2'-[hexane-1,6-diylbis(ammonioethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)
FLF
FLF
表記:2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID
組成式:C14 H10 F3 N O2
SMILES:FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O
InChi:InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
別名:FLUFENAMIC ACID
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
0ZC
0ZC
表記:(3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
組成式:C23 H25 N3 O5
SMILES:O=C(NC(C(=O)N3C(C(=O)O)Cc2c1ccccc1nc2C3)CC(C)C)c4occc4
InChi:InChI=1S/C23H25N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,13,17,19,24H,10-12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1
別名:Furoyl-LeusycloTrp
定義日:2008-08-05
最終更新日:2020-06-17
識別子（ID）:(3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
FLN
FLN
表記:2-PHENYL-4H-CHROMEN-4-ONE
組成式:C15 H10 O2
SMILES:O=C1c3c(OC(=C1)c2ccccc2)cccc3
InChi:InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
別名:FLAVONE
定義日:2006-02-15
最終更新日:2020-06-17
識別子（ID）:2-phenyl-4H-chromen-4-one
0ZE
0ZE
表記:[[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium
組成式:C29 H38 N7 O3 S
SMILES:O=C4N1C(CCC1C(=O)NC(CCCNC(=[NH2+])N)C(O)c2nc3ccccc3s2)CCC4(N)Cc5ccccc5
InChi:InChI=1S/C29H37N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22,24,37H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/p+1/t19-,21+,22+,24+,29+/m1/s1
別名:MOL-168
定義日:2008-08-05
最終更新日:2020-06-17
識別子（ID）:amino{[(4S,5S)-4-({[(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizin-3-yl]carbonyl}amino)-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino}methaniminium (non-preferred name)
0ZG
0ZG
表記:3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
組成式:C22 H28 N4 O3 S
SMILES:O=C(N1CCCCC1)C(NS(=O)(=O)c2ccc(cc2)C)Cc3cccc(C(=[N@H])N)c3
InChi:InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/t20-/m0/s1
別名:4-TAPAP
定義日:2008-08-05
最終更新日:2020-06-17
識別子（ID）:3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzenecarboximidamide
FLR
FLR
表記:(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
組成式:C15 H13 F O2
SMILES:C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
InChi:InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
別名:Flurbirprofen, R-form
定義日:2011-03-29
最終更新日:2020-06-17
識別子（ID）:(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
FLU
FLU
表記:2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID
組成式:C20 H12 O5
SMILES:O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3
InChi:InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
別名:FLUORESCEIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
FLV
FLV
表記:FLAVIOLIN
組成式:C10 H6 O5
SMILES:O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2
InChi:InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
別名:2,5,7-TRIHYDROXYNAPHTHOQUINONE
定義日:2004-06-14
最終更新日:2020-06-17
識別子（ID）:2,5,7-trihydroxynaphthalene-1,4-dione
0ZP
0ZP
表記:N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-y l)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
組成式:C51 H68 N5 O4
SMILES:O=C(NCC(C)CC)C(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(Cc2c1ccccc1ccc2)Cc4c3ccccc3ccc4)Cc5cnc[nH+]5)CC6CCCCC6
InChi:InChI=1S/C51H67N5O4/c1-5-35(4)31-53-49(58)41(25-34(2)3)29-48(57)46(26-36-15-7-6-8-16-36)55-51(60)47(30-43-32-52-33-54-43)56-50(59)42(27-39-21-13-19-37-17-9-11-23-44(37)39)28-40-22-14-20-38-18-10-12-24-45(38)40/h9-14,17-24,32-36,41-42,46-48,57H,5-8,15-16,25-31H2,1-4H3,(H,52,54)(H,53,58)(H,55,60)(H,56,59)/p+1/t35-,41+,46-,47-,48-/m0/s1
別名:PD125967
定義日:2008-08-12
最終更新日:2020-06-17
識別子（ID）:N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2S)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
FM1
FM1
表記:2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL
組成式:C11 H15 N5 O4
SMILES:OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC
InChi:InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1
別名:N7-METHYL-FORMYCIN A
定義日:2001-11-12
最終更新日:2020-06-17
識別子（ID）:(1S)-1,4-anhydro-1-[7-(methylamino)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-ribitol
FM2
FM2
表記:2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
組成式:C11 H16 N5 O4
SMILES:OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C
InChi:InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1
別名:6-METHYL-FORMYCIN A
定義日:2001-11-12
最終更新日:2020-06-17
識別子（ID）:(1S)-1-(7-amino-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-6-ium-3-yl)-1,4-anhydro-D-ribitol
FMX
FMX
表記:FAMOXADONE
組成式:C22 H18 N2 O4
SMILES:O=C2OC(C(=O)N2Nc1ccccc1)(c4ccc(Oc3ccccc3)cc4)C
InChi:InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1
別名:5-METHYL-5-(4-PHENOXYPHENYL)-3-(PHENYLAMINO)-2,4-OXAZOLIDINEDIONE
定義日:2002-02-25
最終更新日:2020-06-17
識別子（ID）:(5S)-5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione

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件を2025-06-25に公開中

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