| NEW | Name: | 3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL | Formula: | C12 H6 Cl4 O2 | SMILES: | Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2 | InChi: | InChI=1/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H | Definition date: | 2006-02-24 | Last modified: | 2008-10-14 | Identifier: | 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol |
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| 119 | Name: | TETRAPHENYLPHOSPHONIUM ION | Formula: | C24 H20 P | SMILES: | c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 | InChi: | InChI=1/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 | Definition date: | 2000-05-09 | Last modified: | 2008-10-14 | Identifier: | tetraphenylphosphonium |
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| O4M | Name: | MANGANESE TETRAHYDRATE ION | Formula: | H8 Mn O4 | SMILES: | O|[Mn++](|O)(|O)|O | InChi: | InChI=1/Mn.4H2O/h | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 |
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| OR5 | Name: | OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE | Formula: | C5 H13 O8 P | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CO | InChi: | InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H | Definition date: | 2004-08-19 | Last modified: | 2008-10-14 | Identifier: | 5-O-phosphono-D-ribitol |
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| OTE | Name: | 2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL | Formula: | C16 H34 O5 | SMILES: | O(CCCCCCCC)CCOCCOCCOCCO | InChi: | InChI=1/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3 | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | 3,6,9,12-tetraoxaicosan-1-ol |
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| BH4 | Name: | (6R,1'R,2'S)-5,6,7,8 TETRAHYDROBIOPTERIN | Formula: | C9 H15 N5 O3 | SMILES: | O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C | InChi: | InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1/f/h11,14H,10H2 | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one |
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| 638 | Name: | [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | Formula: | C41 H38 N6 O5 S2 | SMILES: | O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7 | InChi: | InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H | Synonyms: | XV638 | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | 3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide) |
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| 345 | Name: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE | Formula: | C19 H20 Cl N O6 S | SMILES: | O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3 | InChi: | InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | 2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide |
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| RIC | Name: | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER | Formula: | C14 H19 N2 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O | InChi: | InChI=1/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1/f/h19-20H | Definition date: | 1999-09-17 | Last modified: | 2008-10-14 | Identifier: | 5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
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| 395 | Name: | S-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | Formula: | C23 H26 F N O4 | SMILES: | O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C | InChi: | InChI=1/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1/f/h25,28H | Synonyms: | BMS270395 | Definition date: | 2000-05-10 | Last modified: | 2008-10-14 | Identifier: | 3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid |
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| BP | Name: | (-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | Formula: | C20 H16 O3 | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | InChi: | InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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| BPC | Name: | (7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL | Formula: | C20 H16 O3 | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | InChi: | InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | Definition date: | 2001-10-04 | Last modified: | 2008-10-14 | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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| AFL | Name: | ALPHA-L-FUCOSE | Formula: | C6 H12 O5 | SMILES: | OC1C(O)C(OC(O)C1O)C | InChi: | InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1 | Definition date: | 2002-09-19 | Last modified: | 2008-10-14 | Identifier: | 6-deoxy-beta-L-galactopyranose |
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| AGC | Name: | ALPHA-D-GLUCOSE | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | Definition date: | 2003-10-15 | Last modified: | 2008-10-14 | Identifier: | alpha-D-glucopyranose |
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| THB | Name: | TETRAHYDROBIOPTERIN | Formula: | C9 H15 N5 O3 | SMILES: | O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C | InChi: | InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1/f/h11,14H,10H2 | Synonyms: | 5,6,7,8-TETRAHYDROBIOPTERIN | Definition date: | 1999-11-17 | Last modified: | 2008-10-14 | Identifier: | (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one |
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| TIB | Name: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE | Formula: | C16 H20 Cl N3 S | SMILES: | S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)CC=C(/C)C | InChi: | InChI=1/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1/f/h18H | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | (5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione |
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| E4N | Name: | TETRAETHYLAMMONIUM ION | Formula: | C8 H20 N | SMILES: | CC[N+](CC)(CC)CC | InChi: | InChI=1/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1 | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | N,N,N-triethylethanaminium |
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| DGM | Name: | D-GLUCOPYRANOSYLIUM | Formula: | C6 H11 O5 | SMILES: | OC1C(O)C(O)[CH+]OC1CO | InChi: | InChI=1/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/q+1/t3-,4+,5+,6+/m0/s1 | Definition date: | 2005-08-30 | Last modified: | 2008-10-14 | Identifier: | (3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylium |
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| DHO | Name: | DEOXYCHOLIC ACID | Formula: | C24 H40 O4 | SMILES: | O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C | InChi: | InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/f/h27H | Definition date: | 2000-09-08 | Last modified: | 2008-10-14 | Identifier: | (3beta,5beta,9beta,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid |
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| GLB | Name: | BETA-D-GALACTOSE | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | beta-D-galactopyranose |
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| GLW | Name: | 6-DEOXYGLUCOSE | Formula: | C6 H12 O5 | SMILES: | OC1C(O)C(OC(O)C1O)C | InChi: | InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1 | Definition date: | 2001-12-06 | Last modified: | 2008-10-14 | Identifier: | 6-deoxy-alpha-D-glucopyranose |
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| GUR | Name: | GLYCOLURIL | Formula: | C4 H6 N4 O2 | SMILES: | O=C1NC2NC(=O)NC2N1 | InChi: | InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione |
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| ITS | Name: | INOSITOL 1,3,4,5-TETRAKISPHOSPHATE | Formula: | C6 H16 O18 P4 | SMILES: | O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O | InChi: | InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1/f/h9-10,12-13,15-16,18-19H | Definition date: | 1999-07-08 | Last modified: | 2008-10-14 | Identifier: | (1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)] |
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| IU6 | Name: | 6-ETHYL-ISO-URSODEOXYCHOLIC ACID | Formula: | C26 H44 O4 | SMILES: | O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C | InChi: | InChI=1/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/f/h28H | Definition date: | 2003-03-25 | Last modified: | 2008-10-14 | Identifier: | (3beta,5beta,6beta,7beta,9beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
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