 | | BT6 | | Name: | benzenethiol | | Formula: | C6 H6 S | | SMILES: | Sc1ccccc1 | | InChi: | InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H | | Definition date: | 2009-06-11 | | Last modified: | 2011-06-04 | | Identifier: | benzenethiol |
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 | | BTD | | Name: | 5-BROMOTHIENYLDEOXYURIDINE | | Formula: | C13 H13 Br N2 O5 S | | SMILES: | Brc3sc(C=1C(=O)NC(=O)N(C=1)C2OC(CO)C(O)C2)cc3 | | InChi: | InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-(5-bromothiophen-2-yl)-2'-deoxyuridine |
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 | | BTM | | Name: | N-benzyl-N,N-diethylethanaminium | | Formula: | C13 H22 N | | SMILES: | c1ccccc1C[N+](CC)(CC)CC | | InChi: | InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1 | | Definition date: | 2008-03-06 | | Last modified: | 2011-06-04 | | Identifier: | N-benzyl-N,N-diethylethanaminium |
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 | | BTO | | Name: | 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID | | Formula: | C12 H11 N3 O5 | | SMILES: | [O-][N+](=O)c1cccc(c1)c2nc(on2)CCCC(=O)O | | InChi: | InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17) | | Definition date: | 2006-10-04 | | Last modified: | 2011-06-04 | | Identifier: | 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid |
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 | | BTP | | Name: | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | | Formula: | C10 H12 O2 S | | SMILES: | O=C(O)C(CS)Cc1ccccc1 | | InChi: | InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-benzyl-3-sulfanylpropanoic acid |
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 | | BTS | | Name: | 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID | | Formula: | C10 H11 N O3 S3 | | SMILES: | O=S(=O)(O)CCCSc1nc2ccccc2s1 | | InChi: | InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14) | | Definition date: | 2004-03-29 | | Last modified: | 2011-06-04 | | Identifier: | 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid |
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 | | BTT | | Name: | BENZENE-1,2,4,5-TETROL | | Formula: | C6 H6 O4 | | SMILES: | Oc1c(O)cc(O)c(O)c1 | | InChi: | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H | | Definition date: | 2004-07-30 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,2,4,5-tetrol |
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 | | BU4 | | Name: | (3R)-butane-1,3-diol | | Formula: | C4 H10 O2 | | SMILES: | C[CH](O)CCO | | InChi: | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 | | Definition date: | 2010-02-18 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-butane-1,3-diol |
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 | | BVD | | Name: | 5-BROMOVINYLDEOXYURIDINE | | Formula: | C11 H13 Br N2 O5 | | SMILES: | Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO | | InChi: | InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(E)-2-bromoethenyl]-2'-deoxyuridine |
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 | | BVG | | Name: | 1H-IMIDAZOL-2-YLMETHANOL | | Formula: | C4 H6 N2 O | | SMILES: | OCc1nccn1 | | InChi: | InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6) | | Definition date: | 2005-11-08 | | Last modified: | 2011-06-04 | | Identifier: | 1H-imidazol-2-ylmethanol |
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 | | BX2 | | Name: | (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one | | Formula: | C23 H24 N6 O | | SMILES: | O=C2N(C(=NC2(c1cc(nc(c1)CC)CC)c4cccc(c3cncnc3)c4)N)C | | InChi: | InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1 | | Definition date: | 2009-08-17 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one |
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 | | BXB | | Name: | N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide | | Formula: | C15 H11 Cl2 N O3 | | SMILES: | Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2 | | InChi: | InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19) | | Definition date: | 2009-08-13 | | Last modified: | 2011-06-04 | | Identifier: | N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide |
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 | | BXZ | | Name: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol | | Formula: | C13 H8 Br N O4 | | SMILES: | Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O | | InChi: | InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H | | Definition date: | 2007-12-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
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 | | BYA | | Name: | N-(phenylcarbonyl)-beta-alanine | | Formula: | C10 H11 N O3 | | SMILES: | O=C(NCCC(=O)O)c1ccccc1 | | InChi: | InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13) | | Definition date: | 2008-12-11 | | Last modified: | 2011-06-04 | | Identifier: | N-(phenylcarbonyl)-beta-alanine |
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 | | BYM | | Name: | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE | | Formula: | C11 H5 F2 N O4 S | | SMILES: | O=C1C(SC(=O)N1)=Cc3ccc2OC(F)(F)Oc2c3 | | InChi: | InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4- | | Definition date: | 2005-07-05 | | Last modified: | 2011-06-04 | | Identifier: | (5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione |
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 | | BYS | | Name: | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID | | Formula: | C19 H18 O6 | | SMILES: | O=C(O)C(Cc1ccccc1)C(C(=O)O)Cc2ccc3OCOc3c2 | | InChi: | InChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1 | | Definition date: | 2001-07-06 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzylbutanedioic acid |
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 | | F6Y | | Name: | 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID | | Formula: | C21 H12 O7 | | SMILES: | O=C(O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc(O)ccc23)cc5 | | InChi: | InChI=1S/C21H12O7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h1-9,22-23H,(H,24,25) | | Definition date: | 2010-07-30 | | Last modified: | 2011-06-04 | | Identifier: | 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid |
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 | | F6Z | | Name: | 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID | | Formula: | C21 H12 O7 | | SMILES: | O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34 | | InChi: | InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25) | | Definition date: | 2010-07-30 | | Last modified: | 2011-06-04 | | Identifier: | 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid |
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 | | F7A | | Name: | N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide | | Formula: | C20 H14 F3 N O2 | | SMILES: | FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c2 | | InChi: | InChI=1S/C20H14F3NO2/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-14-7-6-10-16(13-14)26-15-8-2-1-3-9-15/h1-13H,(H,24,25) | | Definition date: | 2010-02-22 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide |
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 | | F8A | | Name: | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid | | Formula: | C21 H18 F3 N O2 | | SMILES: | FC(F)(F)c1ccccc1Cn3c2c(C(=O)O)cccc2c4c3CCCC4 | | InChi: | InChI=1S/C21H18F3NO2/c22-21(23,24)17-10-3-1-6-13(17)12-25-18-11-4-2-7-14(18)15-8-5-9-16(19(15)25)20(26)27/h1,3,5-6,8-10H,2,4,7,11-12H2,(H,26,27) | | Definition date: | 2009-01-13 | | Last modified: | 2011-06-04 | | Identifier: | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid |
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 | | FA1 | | Name: | 2,3 -ANHYDRO-QUINIC ACID | | Formula: | C7 H10 O5 | | SMILES: | O=C(O)C1(O)C=CC(O)C(O)C1 | | InChi: | InChI=1S/C7H10O5/c8-4-1-2-7(12,6(10)11)3-5(4)9/h1-2,4-5,8-9,12H,3H2,(H,10,11)/t4-,5-,7+/m1/s1 | | Definition date: | 2002-01-22 | | Last modified: | 2011-06-04 | | Identifier: | (1R,4R,5R)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid |
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 | | FA2 | | Name: | 5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE | | Formula: | C9 H12 N5 O6 P | | SMILES: | O=P(O)(O)OC3COC(n2cnc1c(ncnc12)N)C3O | | InChi: | InChI=1S/C9H12N5O6P/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(15)4(1-19-9)20-21(16,17)18/h2-4,6,9,15H,1H2,(H2,10,11,12)(H2,16,17,18)/t4-,6+,9+/m0/s1 | | Definition date: | 2003-07-09 | | Last modified: | 2011-06-04 | | Identifier: | (3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate |
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 | | FA3 | | Name: | 2-ANHYDRO-3-FLUORO-QUINIC ACID | | Formula: | C7 H9 F O5 | | SMILES: | FC1=CC(O)(C(=O)O)CC(O)C1O | | InChi: | InChI=1S/C7H9FO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h1,4-5,9-10,13H,2H2,(H,11,12)/t4-,5-,7+/m1/s1 | | Definition date: | 2004-04-16 | | Last modified: | 2011-06-04 | | Identifier: | (1R,4S,5R)-3-fluoro-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid |
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 | | FA5 | | Name: | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | | Formula: | C19 H23 N6 O8 P | | SMILES: | O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccccc4 | | InChi: | InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(28)33-34(29,30)31-7-12-14(26)15(27)18(32-12)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26-27H,6-7,20H2,(H,29,30)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1 | | Definition date: | 2001-07-20 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-3-phenylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | FA6 | | Name: | 3-HYDROXYIMINO QUINIC ACID | | Formula: | C7 H11 N O6 | | SMILES: | O=C(O)C1(O)CC(=NO)/C(O)C(O)C1 | | InChi: | InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1 | | Definition date: | 2002-06-27 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3R,4R,5E)-1,3,4-trihydroxy-5-(hydroxyimino)cyclohexanecarboxylic acid |
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