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T4B
T4B
表記:((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID
組成式:C31 H26 N2 O3
SMILES:O=C(O)COc5cccc(c1ccccc1n2nc(c(c2CC)c3ccccc3)c4ccccc4)c5
InChi:InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
定義日:2006-11-06
最終更新日:2011-06-04
識別子（ID）:{[2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)biphenyl-3-yl]oxy}acetic acid
FBR
FBR
表記:(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
組成式:C17 H19 Br O2
SMILES:O=C3C(Br)=C2c1c(cc(O)cc1)CC2(CCCC)CC3
InChi:InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1
定義日:2006-04-06
最終更新日:2011-06-04
識別子（ID）:(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
FBT
FBT
表記:2,6-DIFLUOROBENZENESULFONAMIDE
組成式:C6 H5 F2 N O2 S
SMILES:O=S(=O)(c1c(F)cccc1F)N
InChi:InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11)
定義日:2001-04-16
最終更新日:2011-06-04
識別子（ID）:2,6-difluorobenzenesulfonamide
FBU
FBU
表記:3,5-DIFLUOROBENZENESULFONAMIDE
組成式:C6 H5 F2 N O2 S
SMILES:Fc1cc(cc(F)c1)S(=O)(=O)N
InChi:InChI=1S/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
定義日:2001-04-16
最終更新日:2011-06-04
識別子（ID）:3,5-difluorobenzenesulfonamide
FBV
FBV
表記:2-fluorobenzenesulfonamide
組成式:C6 H6 F N O2 S
SMILES:O=S(=O)(c1ccccc1F)N
InChi:InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
定義日:2009-03-31
最終更新日:2011-06-04
識別子（ID）:2-fluorobenzenesulfonamide
FBW
FBW
表記:3-fluorobenzenesulfonamide
組成式:C6 H6 F N O2 S
SMILES:O=S(=O)(c1cc(F)ccc1)N
InChi:InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
定義日:2009-04-01
最終更新日:2011-06-04
識別子（ID）:3-fluorobenzenesulfonamide
T4K
T4K
表記:(2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
組成式:C24 H35 N4 O19 P3
SMILES:O=P(OC2OC(C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O
InChi:InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18-,20+,21-,23-/m1/s1
定義日:2007-05-03
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
FBZ
FBZ
表記:(3S)-3-phenylbutanoic acid
組成式:C10 H12 O2
SMILES:O=C(O)CC(c1ccccc1)C
InChi:InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
定義日:2010-11-15
最終更新日:2011-06-04
識別子（ID）:(3S)-3-phenylbutanoic acid
FC1
FC1
表記:THIOCOUMARIN
組成式:C14 H17 N O2 S
SMILES:O=C2Sc1ccccc1C(OCCCN(C)C)=C2
InChi:InChI=1S/C14H17NO2S/c1-15(2)8-5-9-17-12-10-14(16)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3
定義日:2005-01-12
最終更新日:2011-06-04
識別子（ID）:4-[3-(dimethylamino)propoxy]-2H-thiochromen-2-one
FC2
FC2
表記:5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID
組成式:C11 H6 Cl2 O3
SMILES:O=C(O)c2oc(c1c(Cl)ccc(Cl)c1)cc2
InChi:InChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
定義日:2005-11-04
最終更新日:2011-06-04
識別子（ID）:5-(2,5-dichlorophenyl)furan-2-carboxylic acid
T4P
T4P
表記:3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
組成式:C13 H21 N4 O11 P
SMILES:O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9-/m1/s1
定義日:2004-06-18
最終更新日:2011-06-04
識別子（ID）:5-deoxy-5-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol
FC3
FC3
表記:5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID
組成式:C12 H7 F3 O3
SMILES:O=C(O)c2oc(c1c(cccc1)C(F)(F)F)cc2
InChi:InChI=1S/C12H7F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)
定義日:2005-11-04
最終更新日:2011-06-04
識別子（ID）:5-[2-(trifluoromethyl)phenyl]furan-2-carboxylic acid
T4S
T4S
表記:1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-HYDROSELENO-5-METHYLPYRIMIDIN-2(1H)-ONE
組成式:C10 H15 N2 O7 P Se
SMILES:O=C1N=C([SeH])C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C
InChi:InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(14)11-9(5)21)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1
定義日:2006-11-06
最終更新日:2011-06-04
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-4-selanylpyrimidin-2(1H)-one
FCD
FCD
表記:5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
組成式:C11 H7 Cl O3
SMILES:O=C(O)c2oc(c1c(Cl)cccc1)cc2
InChi:InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
定義日:2004-10-05
最終更新日:2011-06-04
識別子（ID）:5-(2-chlorophenyl)furan-2-carboxylic acid
T50
T50
表記:1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE
組成式:C21 H14 F4 N2
SMILES:Fc1cccc(F)c1Cn2c4cccc(c4nc2c3c(F)cccc3F)C
InChi:InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
定義日:2005-10-11
最終更新日:2011-06-04
識別子（ID）:1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1H-benzimidazole
FCF
FCF
表記:3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
組成式:C15 H14 N4 O6
SMILES:O=C2NC(C=NOCCON=Cc1cccc(C(=O)O)c1)=CC(=O)N2
InChi:InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+
定義日:2008-11-24
最終更新日:2011-06-04
識別子（ID）:3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
T55
T55
表記:8-METHYLNONANOIC ACID
組成式:C10 H20 O2
SMILES:O=C(N)CCCCCCC(C)C
InChi:InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
定義日:2009-03-27
最終更新日:2011-06-04
識別子（ID）:8-methylnonanoic acid
FCK
FCK
表記:3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
組成式:C16 H18 N4 O5
SMILES:O=C2NC(C=NOCCCNCc1cc(C(=O)O)ccc1)=CC(=O)N2
InChi:InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-18-25-6-2-5-17-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-8,10,17H,2,5-6,9H2,(H,22,23)(H2,19,20,21,24)/b18-10+
定義日:2008-11-24
最終更新日:2011-06-04
識別子（ID）:3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
T5A
T5A
表記:P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE
組成式:C20 H30 N7 O23 P5
SMILES:CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O
InChi:InChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
FCO
FCO
表記:CARBONMONOXIDE-(DICYANO) IRON
組成式:C3 Fe N2 O
SMILES:N#C[Fe](C#N)=C=O
InChi:InChI=1S/2CN.CO.Fe/c3*1-2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:bis(cyano-kappaC)(oxomethylidene)iron
FCP
FCP
表記:(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
組成式:C21 H23 F2 N5 O2
SMILES:Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3
InChi:InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1
定義日:2002-06-10
最終更新日:2011-06-04
識別子（ID）:(2R)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
FCR
FCR
表記:ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
組成式:C7 H5 F3 O
SMILES:FC(F)(F)c1ccc(O)cc1
InChi:InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
定義日:2000-04-12
最終更新日:2011-06-04
識別子（ID）:4-(trifluoromethyl)phenol
FCX
FCX
表記:ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX
組成式:C23 H37 F N7 O18 P3
SMILES:O=C(O)C(F)CCNC(=O)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/C23H37FN7O18P3/c1-23(2,17(34)20(35)27-6-4-13(32)26-5-3-11(24)22(36)37)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(33)21(47-12)31-10-30-14-18(25)28-9-29-19(14)31/h9-12,15-17,21,33-34H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t11-,12+,15+,16+,17-,21+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3S,5S,9R,18S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-18-fluoro-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)
T5M
T5M
表記:2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL
組成式:C19 H21 N O2
SMILES:O=C(c1ccc(O)c(c1)C(C)(C)C)N3Cc2ccccc2C3
InChi:InChI=1S/C19H21NO2/c1-19(2,3)16-10-13(8-9-17(16)21)18(22)20-11-14-6-4-5-7-15(14)12-20/h4-10,21H,11-12H2,1-3H3
定義日:2010-06-21
最終更新日:2011-06-04
識別子（ID）:2-tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
FD1
FD1
表記:N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID
組成式:C26 H28 N4 O5 S
SMILES:O=C(N1C(C(=O)O)CCCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4
InChi:InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1
定義日:2001-10-19
最終更新日:2011-06-04
識別子（ID）:(2R)-1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-2-carboxylic acid

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