 | | PI3 | | Name: | 11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10-
DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE | | Formula: | C24 H39 N3 O4 | | SMILES: | O=C1NC(C(O)CNCCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2 | | InChi: | InChI=1S/C24H39N3O4/c1-16(2)11-12-25-15-21(28)20-14-18-7-9-19(10-8-18)31-13-5-6-22(29)27-23(17(3)4)24(30)26-20/h7-10,16-17,20-21,23,25,28H,5-6,11-15H2,1-4H3,(H,26,30)(H,27,29)/t20-,21+,23-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-8-(1-methylethyl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione |
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 | | PI7 | | Name: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]
HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE | | Formula: | C36 H53 N5 O7 | | SMILES: | O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C(C)C)CC | | InChi: | InChI=1S/C36H53N5O7/c1-6-23(5)33-35(46)37-17-8-18-48-27-15-11-25(12-16-27)20-29(34(45)41-33)38-21-30(43)28(19-24-9-13-26(42)14-10-24)39-36(47)32(22(3)4)40-31(44)7-2/h9-16,22-23,28-30,32-33,38,42-43H,6-8,17-21H2,1-5H3,(H,37,46)(H,39,47)(H,40,44)(H,41,45)/t23-,28-,29-,30+,32-,33-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-N~2~-propanoyl-L-valinamide |
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 | | PIB | | Name: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL
BUTANOATE | | Formula: | C17 H32 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)O)CCC | | InChi: | InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14+,15+,16+,17-/m0/s1 | | Synonyms: | D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO | | Definition date: | 2001-06-15 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-{[(S)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate |
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 | | 27E | | Name: | chlordecone | | Formula: | C10 Cl10 O | | SMILES: | O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl | | InChi: | InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5+,6+,7-,8+,9- | | Synonyms: | (1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one | | Definition date: | 2013-09-05 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | (1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one |
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 | | 27H | | Name: | ferutinine | | Formula: | C22 H30 O4 | | SMILES: | O=C(OC1C2C(CC=C(C)C1)(CCC2(O)C(C)C)C)c3ccc(O)cc3 | | InChi: | InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1 | | Synonyms: | (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate | | Definition date: | 2013-09-05 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate |
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 | | PIZ | | Name: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane
-1,2-diyl dihexadecanoate | | Formula: | C41 H82 O22 P4 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41-/m0/s1 | | Synonyms: | PI(3,4,5)P3 dipalmitoyl (16:0, 16:0) | | Definition date: | 2014-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-30 | | Identifier: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
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 | | 27O | | Name: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid | | Formula: | C19 H22 O2 | | SMILES: | O=C(O)C(c2ccc(c1ccccc12)C3CCCCC3)C | | InChi: | InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m1/s1 | | Synonyms: | (R)-Vedaprofen | | Definition date: | 2013-09-05 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-18 | | Identifier: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid |
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 | | PJA | | Name: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid | | Formula: | C18 H14 O8 | | SMILES: | O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(O)c3C=O)C | | InChi: | InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22) | | Synonyms: | Psoromic acid | | Definition date: | 2012-05-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid |
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 | | 28E | | Name: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | | Formula: | C15 H14 O6 | | SMILES: | Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O | | InChi: | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 | | Synonyms: | Epicatechin | | Definition date: | 2013-09-09 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-27 | | Identifier: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
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 | | 28U | | Name: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol | | Formula: | C15 H26 O | | SMILES: | OC(/C=C)(CC/C=C(/CC/C=C(C)C)C)C | | InChi: | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1 | | Synonyms: | trans-Nerolidol | | Definition date: | 2013-09-10 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-29 | | Identifier: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
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 | | 292 | | Name: | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE | | Formula: | C18 H17 N3 O | | SMILES: | O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4 | | InChi: | InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22) | | Synonyms: | PNU-292137 INHIBITOR | | Definition date: | 2004-05-07 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylacetamide |
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 | | 299 | | Name: | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | | Formula: | C9 H9 O6 P | | SMILES: | O=P(Oc1c(cc(cc1C=O)C)C=O)(O)O | | InChi: | InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14) | | Synonyms: | RU78299 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 2,6-diformyl-4-methylphenyl dihydrogen phosphate |
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 | | PLA | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID | | Formula: | C13 H19 N2 O9 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(=O)O | | InChi: | InChI=1S/C13H19N2O9P/c1-7-11(18)9(8(4-14-7)6-24-25(21,22)23)5-15-13(2,12(19)20)3-10(16)17/h4,15,18H,3,5-6H2,1-2H3,(H,16,17)(H,19,20)(H2,21,22,23)/t13-/m0/s1 | | Synonyms: | N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-aspartic acid |
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 | | PLK | | Name: | (3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID | | Formula: | C15 H25 N2 O7 P | | SMILES: | O=C(O)CC(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C)C | | InChi: | InChI=1S/C15H25N2O7P/c1-9(2)4-12(5-14(18)19)17-7-13-11(8-24-25(21,22)23)6-16-10(3)15(13)20/h6,9,12,17,20H,4-5,7-8H2,1-3H3,(H,18,19)(H2,21,22,23)/t12-/m1/s1 | | Synonyms: | R-3-amino-5-methylhexanoicacid-pyridoxal-5p-phosphate | | Definition date: | 2011-05-30 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid |
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 | | PLQ | | Name: | 1,4-benzoquinone | | Formula: | C6 H4 O2 | | SMILES: | O=C1C=CC(=O)C=C1 | | InChi: | InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H | | Synonyms: | cyclohexa-2,5-diene-1,4-dione | | Definition date: | 2007-11-13 | | Last modified: | 2020-06-17 | | Identifier: | cyclohexa-2,5-diene-1,4-dione |
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 | | PLS | | Name: | [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | | Formula: | C11 H17 N2 O8 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO | | InChi: | InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1 | | Synonyms: | PYRIDOXYL-SERINE-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine |
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 | | PM0 | | Name: | premithramycin B | | Formula: | C53 H72 O24 | | SMILES: | O=C8c4c(cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(=O)C(C(=O)C)=C(O)C9OC | | InChi: | InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1 | | Synonyms: | (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}
-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl
2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-
arabino-hexopyranoside | | Definition date: | 2010-12-06 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-09 | | Identifier: | (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside |
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 | | PM2 | | Name: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | | Formula: | C26 H29 N3 O | | SMILES: | O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3)CN)CC4 | | InChi: | InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2 | | Synonyms: | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | | Definition date: | 2005-03-09 | | Last modified: | 2020-06-17 | | Identifier: | 1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine |
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 | | PM6 | | Name: | 9H-purine-6-thiol | | Formula: | C5 H4 N4 S | | SMILES: | n2c1c(ncn1)c(nc2)S | | InChi: | InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) | | Synonyms: | 6-Mercaptopurine | | Definition date: | 2007-12-01 | | Last modified: | 2020-06-17 | | Identifier: | 9H-purine-6-thiol |
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 | | PME | | Name: | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1 | | InChi: | InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 | | Synonyms: | ASPARTAME | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | methyl L-alpha-aspartyl-L-phenylalaninate |
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 | | PMG | | Name: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID | | Formula: | C14 H21 N2 O9 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CCC(=O)O | | InChi: | InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1 | | Synonyms: | N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE | | Definition date: | 2005-04-25 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-glutamic acid |
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 | | PMO | | Name: | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE | | Formula: | C13 H17 N2 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O | | InChi: | InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1 | | Synonyms: | PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2001-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
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 | | PMP | | Name: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE | | Formula: | C8 H13 N2 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CN)C | | InChi: | InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) | | Synonyms: | PYRIDOXAMINE-5'-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
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 | | 29S | | Name: | Bazedoxifene | | Formula: | C30 H34 N2 O3 | | SMILES: | Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C | | InChi: | InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 | | Synonyms: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol | | Definition date: | 2013-09-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-01-13 | | Identifier: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol |
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 | | PMX | | Name: | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine | | Formula: | C14 H14 Cl N O6 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC | | InChi: | InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1 | | Synonyms: | (+)-Xylariamide A | | Definition date: | 2010-11-02 | | Last modified: | 2020-06-17 | | Identifier: | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine |
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