 | | 2PY | | Name: | (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE | | Formula: | C23 H21 N5 O | | SMILES: | N1=CC(=C2C=CC=CC12)CC(N)COc5cc(c3cc4c(cc3)nnc4)cnc5 | | InChi: | InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23?/m0/s1 | | Definition date: | 2007-01-17 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-1-{[5-(1H-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7aS)-7aH-indol-3-yl]propan-2-amine |
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 | | HKV | | Name: | 4,5-DIOXOPENTANOIC ACID | | Formula: | C5 H6 O4 | | SMILES: | O=CC(=O)CCC(=O)O | | InChi: | InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9) | | Definition date: | 2006-12-05 | | Last modified: | 2011-06-04 | | Identifier: | 4,5-dioxopentanoic acid |
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 | | HLC | | Name: | 4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide | | Formula: | C14 H16 Cl N O4 | | SMILES: | O=C2OCCC2NC(=O)CCCOc1ccc(Cl)cc1 | | InChi: | InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1 | | Definition date: | 2011-02-15 | | Last modified: | 2011-06-04 | | Identifier: | 4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
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 | | HLE | | Name: | 3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE | | Formula: | C8 H15 N O4 | | SMILES: | O=C(NO)C(O)C(C=O)CC(C)C | | InChi: | InChI=1S/C8H15NO4/c1-5(2)3-6(4-10)7(11)8(12)9-13/h4-7,11,13H,3H2,1-2H3,(H,9,12)/t6-,7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3R)-3-formyl-N,2-dihydroxy-5-methylhexanamide |
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 | | HLO | | Name: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | | Formula: | C15 H17 N5 O4 | | SMILES: | O=C(N)c1cc[n+](cc1)COC[n+]2ccc(cc2C=NO)C=NO | | InChi: | InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2 | | Definition date: | 2007-01-25 | | Last modified: | 2011-06-04 | | Identifier: | 1-[({2,4-bis[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium |
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 | | HM2 | | Name: | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | | Formula: | C18 H17 Cl N4 | | SMILES: | Clc1c(nc(nc1C)c2ncccc2)NCCc3ccccc3 | | InChi: | InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23) | | Definition date: | 2006-04-25 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine |
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 | | HM4 | | Name: | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE | | Formula: | C14 H16 N4 O3 S | | SMILES: | O=C(c1ncccc1NC(=O)OC(C)(C)C)Nc2nccs2 | | InChi: | InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19) | | Definition date: | 2006-11-09 | | Last modified: | 2011-06-04 | | Identifier: | tert-butyl [2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate |
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 | | HM5 | | Name: | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | | Formula: | C14 H16 N4 O2 S | | SMILES: | O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2 | | InChi: | InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19) | | Definition date: | 2006-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide |
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 | | HMC | | Name: | 5-HYDROXYMETHYL-CHONDURITOL | | Formula: | C7 H12 O5 | | SMILES: | OC1C(=CC(O)C(O)C1O)CO | | InChi: | InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol |
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 | | HMK | | Name: | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL | | Formula: | C16 H12 O6 | | SMILES: | O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4 | | InChi: | InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1 | | Definition date: | 2005-04-27 | | Last modified: | 2011-06-04 | | Identifier: | (6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol |
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 | | HMS | | Name: | 5-O-phosphono-L-ribulose | | Formula: | C5 H11 O8 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(=O)CO | | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m0/s1 | | Definition date: | 2009-01-14 | | Last modified: | 2011-06-04 | | Identifier: | 5-O-phosphono-L-ribulose |
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 | | HNA | | Name: | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | | Formula: | C14 H7 N O6 | | SMILES: | [O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(=O)c23 | | InChi: | InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H | | Definition date: | 2002-07-12 | | Last modified: | 2011-06-04 | | Identifier: | 4,5-dihydroxy-1-nitroanthracene-9,10-dione |
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 | | HNB | | Name: | (2S,5R)-5-pentyltetrahydrofuran-2-ol | | Formula: | C9 H18 O2 | | SMILES: | OC1OC(CCCCC)CC1 | | InChi: | InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1 | | Definition date: | 2008-10-07 | | Last modified: | 2011-06-04 | | Identifier: | (2S,5R)-5-pentyltetrahydrofuran-2-ol |
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 | | HND | | Name: | (4S)-nonane-1,4-diol | | Formula: | C9 H20 O2 | | SMILES: | OCCCC(O)CCCCC | | InChi: | InChI=1S/C9H20O2/c1-2-3-4-6-9(11)7-5-8-10/h9-11H,2-8H2,1H3/t9-/m0/s1 | | Definition date: | 2009-04-30 | | Last modified: | 2011-06-04 | | Identifier: | (4S)-nonane-1,4-diol |
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 | | HNE | | Name: | (2E,4R)-4-HYDROXYNON-2-ENAL | | Formula: | C9 H16 O2 | | SMILES: | O=C/C=C/C(O)CCCCC | | InChi: | InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1 | | Definition date: | 2006-08-22 | | Last modified: | 2011-06-04 | | Identifier: | (2E,4R)-4-hydroxynon-2-enal |
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 | | HOL | | Name: | ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE | | Formula: | C36 H62 N O9 P | | SMILES: | O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O | | InChi: | InChI=1S/C36H62NO9P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-20-26(14-16-35(25,4)30(27)15-17-36(28,29)5)45-34(39)37-18-7-19-43-33-21-31(38)32(46-33)22-44-47(40,41)42/h10,23-24,26-33,38H,6-9,11-22H2,1-5H3,(H,37,39)(H2,40,41,42)/t24-,26+,27+,28-,29+,30+,31+,32-,33+,35+,36-/m1/s1 | | Definition date: | 2004-03-18 | | Last modified: | 2011-06-04 | | Identifier: | (3alpha,8alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)oxy]propyl}carbamate |
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 | | HP0 | | Name: | (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid | | Formula: | C20 H30 N2 O3 | | SMILES: | O=C(O)C1N(CC2CCCCC2C1)CC(O)C(N)Cc3ccccc3 | | InChi: | InChI=1S/C20H30N2O3/c21-17(10-14-6-2-1-3-7-14)19(23)13-22-12-16-9-5-4-8-15(16)11-18(22)20(24)25/h1-3,6-7,15-19,23H,4-5,8-13,21H2,(H,24,25)/t15-,16+,17-,18-,19+/m0/s1 | | Definition date: | 2010-10-09 | | Last modified: | 2011-06-04 | | Identifier: | (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid |
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 | | HP7 | | Name: | (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid | | Formula: | C17 H25 N3 O18 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O | | InChi: | InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1 | | Definition date: | 2010-08-05 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | HPA | | Name: | HYPOXANTHINE | | Formula: | C5 H4 N4 O | | SMILES: | O=C1c2c(N=CN1)ncn2 | | InChi: | InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1,7-dihydro-6H-purin-6-one |
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 | | HPF | | Name: | 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE | | Formula: | C9 H14 N O7 P | | SMILES: | O=P(O)(O)OCC(O)C(O)Nc1ccccc1O | | InChi: | InChI=1S/C9H14NO7P/c11-7-4-2-1-3-6(7)10-9(13)8(12)5-17-18(14,15)16/h1-4,8-13H,5H2,(H2,14,15,16)/t8-,9-/m1/s1 | | Definition date: | 2004-06-09 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R)-2,3-dihydroxy-3-[(2-hydroxyphenyl)amino]propyl dihydrogen phosphate |
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 | | HPI | | Name: | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE | | Formula: | C23 H27 N3 O6 | | SMILES: | O=C(O)CC(C(=O)N)NC(=O)C(NC(C(=O)O)CCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C23H27N3O6/c24-21(29)18(14-20(27)28)26-22(30)19(13-16-9-5-2-6-10-16)25-17(23(31)32)12-11-15-7-3-1-4-8-15/h1-10,17-19,25H,11-14H2,(H2,24,29)(H,26,30)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1 | | Definition date: | 2004-08-17 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-1-carboxy-3-phenylpropyl]-L-phenylalanyl-L-alpha-asparagine |
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 | | HPK | | Name: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | | Formula: | C12 H9 O4 | | SMILES: | O=C(c1ccccc1)CC=CC(=O)C([O-])=O | | InChi: | InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+ | | Definition date: | 2007-05-14 | | Last modified: | 2011-06-04 | | Identifier: | (3E)-2,6-dioxo-6-phenylhex-3-enoate |
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 | | HPP | | Name: | HYDROXYPHENYL PROPIONIC ACID | | Formula: | C9 H10 O3 | | SMILES: | O=C(O)CCc1ccc(O)cc1 | | InChi: | InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(4-hydroxyphenyl)propanoic acid |
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 | | HPR | | Name: | 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE | | Formula: | C10 H14 N4 O5 | | SMILES: | Oc3ncnc1c3NCN1C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 9-beta-D-ribofuranosyl-8,9-dihydro-7H-purin-6-ol |
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 | | HPT | | Name: | 6-HYDROXYPROPYLTHYMINE | | Formula: | C8 H12 N2 O3 | | SMILES: | O=C1NC(=C(C(=O)N1)C)CCCO | | InChi: | InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13) | | Definition date: | 2000-05-24 | | Last modified: | 2011-06-04 | | Identifier: | 6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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