 | | AQC | | Name: | 9,10-dioxo-9,10-dihydroanthracene-2-carboxamide | | Formula: | C15 H9 N O3 | | SMILES: | O=C(N)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3 | | InChi: | InChI=1S/C15H9NO3/c16-15(19)8-5-6-11-12(7-8)14(18)10-4-2-1-3-9(10)13(11)17/h1-7H,(H2,16,19) | | Definition date: | 2009-06-16 | | Last modified: | 2011-06-04 | | Identifier: | 9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
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 | | AQO | | Name: | 2-AMINOQUINAZOLIN-4(3H)-ONE | | Formula: | C8 H7 N3 O | | SMILES: | O=C1c2c(N=C(N1)N)cccc2 | | InChi: | InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12) | | Definition date: | 2004-01-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-aminoquinazolin-4(3H)-one |
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 | | AQP | | Name: | ADENOSINE-5'-TETRAPHOSPHATE | | Formula: | C10 H17 N5 O16 P4 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2003-03-12 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine |
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 | | AQS | | Name: | N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE | | Formula: | C20 H25 N3 O4 S | | SMILES: | O=S(=O)(N(CCC[NH3+])CCC[NH3+])c3ccc2C(=O)c1c(cccc1)C(=O)c2c3 | | InChi: | InChI=1S/C20H23N3O4S/c21-9-3-11-23(12-4-10-22)28(26,27)14-7-8-17-18(13-14)20(25)16-6-2-1-5-15(16)19(17)24/h1-2,5-8,13H,3-4,9-12,21-22H2/p+2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3,3'-{[(9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfonyl]imino}dipropan-1-aminium |
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 | | H5S | | Name: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one | | Formula: | C27 H30 F N3 O6 S2 | | SMILES: | Fc1ccc(cc1C)CN5C(=O)C(C3=NS(=O)(=O)c2c4c(ccc23)CCN(C4)S(=O)(=O)C)=C(O)C5C(C)(C)C | | InChi: | InChI=1S/C27H30FN3O6S2/c1-15-12-16(6-9-20(15)28)13-31-25(27(2,3)4)23(32)21(26(31)33)22-18-8-7-17-10-11-30(38(5,34)35)14-19(17)24(18)39(36,37)29-22/h6-9,12,25,32H,10-11,13-14H2,1-5H3/t25-/m1/s1 | | Definition date: | 2009-04-29 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one |
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 | | HA2 | | Name: | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID) | | Formula: | C22 H28 N2 O5 | | SMILES: | O=C(O)CCCCC(=O)N(O)CC(N)Cc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1 | | Definition date: | 2007-12-07 | | Last modified: | 2011-06-04 | | Identifier: | 6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid |
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 | | HA3 | | Name: | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | | Formula: | C18 H16 N4 O3 S | | SMILES: | O=C(c1sc(C(=O)NO)cc1)N4Cc3ncc(c2ccccc2)n3CC4 | | InChi: | InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23) | | Definition date: | 2008-03-17 | | Last modified: | 2011-06-04 | | Identifier: | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide |
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 | | HAB | | Name: | 2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID | | Formula: | C13 H10 N2 O3 | | SMILES: | O=C(O)c2ccccc2/N=N/c1ccc(O)cc1 | | InChi: | InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid |
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 | | HAH | | Name: | (1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol | | Formula: | C13 H17 N O4 | | SMILES: | OC2C(NCc1ccccc1O)C=CC(O)C2O | | InChi: | InChI=1S/C13H17NO4/c15-10-4-2-1-3-8(10)7-14-9-5-6-11(16)13(18)12(9)17/h1-6,9,11-18H,7H2/t9-,11-,12+,13+/m1/s1 | | Definition date: | 2008-10-06 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol |
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 | | HAI | | Name: | CYCLOHEXYLAMMONIUM ION | | Formula: | C6 H14 N | | SMILES: | [NH3+]C1CCCCC1 | | InChi: | InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexanaminium |
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 | | HAL | | Name: | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE | | Formula: | C23 H29 N2 O7 P | | SMILES: | O=C(O)CCCC(=O)NC(P(=O)(O)OCC(=O)NCCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1 | | Definition date: | 2002-08-29 | | Last modified: | 2011-06-04 | | Identifier: | (7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide |
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 | | HAM | | Name: | HISTIDYL-ADENOSINE MONOPHOSPHATE | | Formula: | C16 H21 N8 O8 P | | SMILES: | [O-]P(=O)(OC(=O)C([NH3+])Cc1ncnc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/t8-,9+,11+,12+,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-({[(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoyl]oxy}phosphinato)adenosine |
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 | | HBA | | Name: | P-HYDROXYBENZALDEHYDE | | Formula: | C7 H6 O2 | | SMILES: | O=Cc1ccc(O)cc1 | | InChi: | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-hydroxybenzaldehyde |
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 | | HBD | | Name: | 4-HYDROXYBENZAMIDE | | Formula: | C7 H7 N O2 | | SMILES: | O=C(c1ccc(O)cc1)N | | InChi: | InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-hydroxybenzamide |
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 | | HBT | | Name: | (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | | Formula: | C17 H17 N3 O4 S | | SMILES: | [O-][N+](=O)c1ccccc1C(=O)Nc2sc3c(c2C(=O)N)CCC(C3)C | | InChi: | InChI=1S/C17H17N3O4S/c1-9-6-7-11-13(8-9)25-17(14(11)15(18)21)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)/t9-/m0/s1 | | Definition date: | 2009-06-02 | | Last modified: | 2011-06-04 | | Identifier: | (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
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 | | HBX | | Name: | benzaldehyde | | Formula: | C7 H6 O | | SMILES: | O=Cc1ccccc1 | | InChi: | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H | | Definition date: | 2009-02-26 | | Last modified: | 2011-06-04 | | Identifier: | benzaldehyde |
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 | | HC8 | | Name: | 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one | | Formula: | C16 H16 O5 | | SMILES: | O=C(C)Cc1cc2c(c(O)c1C(=O)C)c(O)cc(OC)c2 | | InChi: | InChI=1S/C16H16O5/c1-8(17)4-10-5-11-6-12(21-3)7-13(19)15(11)16(20)14(10)9(2)18/h5-7,19-20H,4H2,1-3H3 | | Definition date: | 2008-05-19 | | Last modified: | 2011-06-04 | | Identifier: | 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one |
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 | | HC9 | | Name: | (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol | | Formula: | C27 H46 O2 | | SMILES: | CC(C)CC[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | | InChi: | InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 | | Definition date: | 2010-01-04 | | Last modified: | 2011-06-04 | | Identifier: | (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
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 | | HCC | | Name: | 2',4,4'-TRIHYDROXYCHALCONE | | Formula: | C15 H12 O4 | | SMILES: | O=C(c1ccc(O)cc1O)C=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ | | Definition date: | 2000-09-27 | | Last modified: | 2011-06-04 | | Identifier: | (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
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 | | HCX | | Name: | (SOUTH) BICYCLO[3.1.0]HEXANE | | Formula: | C7 H13 O4 P | | SMILES: | O=P(OCC1C2CC2CC1O)O | | InChi: | InChI=1S/C7H13O4P/c8-7-2-4-1-5(4)6(7)3-11-12(9)10/h4-8,12H,1-3H2,(H,9,10)/t4-,5-,6+,7+/m1/s1 | | Definition date: | 2004-03-15 | | Last modified: | 2011-06-04 | | Identifier: | [(1R,2R,3S,5R)-3-hydroxybicyclo[3.1.0]hex-2-yl]methyl hydrogen (S)-phosphonate |
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 | | HCZ | | Name: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | | Formula: | C7 H8 Cl N3 O4 S2 | | SMILES: | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N | | InChi: | InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) | | Definition date: | 2009-08-06 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
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 | | HDB | | Name: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | | Formula: | C11 H16 B N3 O3 | | SMILES: | OCC1OB(OC1)c2ccc(cc2)CNC(=[N@H])N | | InChi: | InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1 | | Definition date: | 2005-06-02 | | Last modified: | 2011-06-04 | | Identifier: | 1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]benzyl}guanidine |
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 | | HDF | | Name: | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE | | Formula: | C16 H17 N3 O7 | | SMILES: | O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-deoxy-5-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-xylitol |
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 | | HDT | | Name: | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE | | Formula: | C17 H14 N6 O2 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34 | | InChi: | InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22) | | Definition date: | 2003-06-24 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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 | | HDU | | Name: | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE | | Formula: | C14 H13 N5 O | | SMILES: | O=C(Nc1nccc(n1)c2c(nc3ccccn23)C)C | | InChi: | InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20) | | Definition date: | 2003-06-24 | | Last modified: | 2011-06-04 | | Identifier: | N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide |
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