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SP0
SP0
Name:3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
Formula:C19 H13 F2 N3 O2 S2
SMILES:Fc1cccc(c1)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
InChi:InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
Definition date:2006-02-15
Last modified:2011-06-04
Identifier:3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]benzenesulfonamide
SP3
SP3
Name:N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Formula:C21 H12 F7 N3 O2 S2
SMILES:FC(F)(F)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
InChi:InChI=1S/C21H12F7N3O2S2/c22-14-3-5-15(6-4-14)31-19(11-17(29-31)18-2-1-7-34-18)30-35(32,33)16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-11,30H
Definition date:2006-02-15
Last modified:2011-06-04
Identifier:N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SP6
SP6
Name:BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE
Formula:C21 H16 N2 O4 S
SMILES:O=C(OCc1ccccc1)C=2SC3=CC(=O)N(C(=O)N3C=2)Cc4ccccc4
InChi:InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2
Definition date:2007-02-16
Last modified:2011-06-04
Identifier:benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate
SPA
SPA
Name:THIOPHENEACETIC ACID
Formula:C6 H6 O2 S
SMILES:O=C(O)Cc1sccc1
InChi:InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:thiophen-2-ylacetic acid
SPF
SPF
Name:SINAPOYL COENZYME A
Formula:C32 H44 N7 O20 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C4(O)C(C)(C)C4OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc5cc(OC)c(O)c(OC)c5
InChi:InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32?/m1/s1
Definition date:2004-03-30
Last modified:2011-06-04
Identifier:S-(2-{[3-({[(1R,3R)-3-{[(S)-{[(S)-{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-1-hydroxy-2,2-dimethylcyclopropyl]carbonyl}amino)propanoyl]amino}ethyl) (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate (non-preferred name)
SPT
SPT
Name:5'-THIO-THYMIDINE PHOSPHONIC ACID
Formula:C10 H15 N2 O7 P S
SMILES:O=P(O)(O)SCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-21-20(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:2001-12-05
Last modified:2011-06-04
Identifier:5'-S-phosphono-5'-thiothymidine
8ST
8ST
Name:N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
Formula:C19 H16 Cl N3 O
SMILES:Clc1ccc(cc1)NC(=O)c3c(NCc2ccncc2)cccc3
InChi:InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
Definition date:2009-06-01
Last modified:2011-06-04
Identifier:N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
SRA
SRA
Name:ADENOSINE -5'-THIO-MONOPHOSPHATE
Formula:C10 H14 N5 O6 P S
SMILES:S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/t4-,6-,7-,10-/m1/s1
Definition date:1999-09-15
Last modified:2011-06-04
Identifier:5'-O-thiophosphonoadenosine
SRN
SRN
Name:SORANGICIN A
Formula:C47 H66 O11
SMILES:O=C2OC1C=CC(OC1C(=C/C(C)CCCCC(=O)O)/C)CC=CCCC=CC(O)C(O)C5OC(CC=CC4OC3CC(OC3C=CC=CC=C2)C4C)C(C)C(O)C5
InChi:InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30-,32-,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,46+,47+/m1/s1
Definition date:2005-01-25
Last modified:2011-06-04
Identifier:(6R,7E)-6-methyl-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E,34S,36S,40R)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1~12,16~.1~20,24~.0~10,14~]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid (non-preferred name)
SRP
SRP
Name:SERYL ADENYLATE
Formula:C13 H19 N6 O9 P
SMILES:O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
InChi:InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
Definition date:2004-06-29
Last modified:2011-06-04
Identifier:5'-O-[(S)-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine
SRT
SRT
Name:S,R MESO-TARTARIC ACID
Formula:C4 H6 O6
SMILES:O=C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
Definition date:2005-09-15
Last modified:2011-06-04
Identifier:(2R,3S)-2,3-dihydroxybutanedioic acid
SSA
SSA
Name:5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE
Formula:C13 H19 N7 O8 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
InChi:InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-(L-serylsulfamoyl)adenosine
SSC
SSC
Name:(2S,5S)-5-CARBOXYMETHYLPROLINE
Formula:C7 H11 N O4
SMILES:O=C(O)CC1NC(C(=O)O)CC1
InChi:InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
Definition date:2003-07-24
Last modified:2011-06-04
Identifier:(5S)-5-(carboxymethyl)-L-proline
SSJ
SSJ
Name:2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
Formula:C19 H28 N3 O15 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(C#CC1=CC(N(O)C1(C)C)(C)C)=C2)CC3O
InChi:InChI=1S/C19H28N3O15P3/c1-18(2)8-12(19(3,4)22(18)26)6-5-11-9-21(17(25)20-16(11)24)15-7-13(23)14(35-15)10-34-39(30,31)37-40(32,33)36-38(27,28)29/h8-9,13-15,23,26H,7,10H2,1-4H3,(H,30,31)(H,32,33)(H,20,24,25)(H2,27,28,29)/t13-,14+,15+/m0/s1
Definition date:2010-09-20
Last modified:2011-06-04
Identifier:2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
SSM
SSM
Name:(2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide
Formula:C8 H16 N2 O3 S
SMILES:O=C(NC(C(=O)NC)CCS(=O)C)C
InChi:InChI=1S/C8H16N2O3S/c1-6(11)10-7(8(12)9-2)4-5-14(3)13/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-,14-/m0/s1
Definition date:2007-12-26
Last modified:2011-06-04
Identifier:(2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide
STC
STC
Name:3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
Formula:C11 H8 Cl N O4 S2
SMILES:O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2
InChi:InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
Definition date:2002-03-04
Last modified:2011-06-04
Identifier:3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
STF
STF
Name:(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,3-THIAZOL-4-ONE
Formula:C11 H8 F3 N O S2
SMILES:O=C1N=C(S)SC1Cc2ccc(cc2)C(F)(F)F
InChi:InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1
Definition date:2006-01-11
Last modified:2011-06-04
Identifier:(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one
STG
STG
Name:ESTRIOL 3-(B-D-GLUCURONIDE)
Formula:C24 H32 O9
SMILES:O=C(O)C5OC(Oc1ccc2c(c1)CCC3C4CC(O)C(O)C4(C)CCC23)C(O)C(O)C5O
InChi:InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(14beta,16alpha,17alpha)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
STH
STH
Name:2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
Formula:C8 H9 N O2 S
SMILES:O2c1ccccc1C(O)SC2N
InChi:InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
Definition date:2004-11-03
Last modified:2011-06-04
Identifier:(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol
STJ
STJ
Name:3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
Formula:C18 H13 F3 N4 O2
SMILES:FC(F)(F)Oc1ccc(cc1)Nc3ncnc(c2cc(C(=O)N)ccc2)c3
InChi:InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
Definition date:2009-10-09
Last modified:2011-06-04
Identifier:3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
STL
STL
Name:RESVERATROL
Formula:C14 H12 O3
SMILES:Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2
InChi:InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
STP
STP
Name:2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE)
Formula:C10 H16 N5 O11 P3 S
SMILES:O=P(O)(O)OP(=O)(O)OP(=S)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5?,6?,7?,29-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]pentofuranosyl}-9H-purin-6-amine
STS
STS
Name:2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
Formula:C15 H16 N3 S
SMILES:SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3
InChi:InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1
Definition date:2005-01-12
Last modified:2011-06-04
Identifier:2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium
STU
STU
Name:STAUROSPORINE
Formula:C28 H26 N4 O3
SMILES:O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
SUD
SUD
Name:4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE
Formula:C14 H26 N3 O17 P3
SMILES:O=P(O)(O)OC(C)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1
Definition date:2004-07-28
Last modified:2011-06-04
Identifier:5'-O-[(R)-{[(S)-{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

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数据于2024-09-11公开中

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