 | | EC6 | | Name: | N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | | Formula: | C28 H54 N4 O5 | | SMILES: | O=C(NC(C(O)C(CC)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | | InChi: | InChI=1S/C28H54N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h18-22,25-26,35H,10-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21+,22+,25+,26+/m1/s1 | | Synonyms: | Double bound form of enone carmaphycin analogue 6 | | Definition date: | 2013-09-06 | | Last modified: | 2020-05-27 | | Release date: | 2014-07-02 | | Identifier: | N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
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 | | KDH | | Name: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | | Formula: | C22 H18 O11 | | SMILES: | O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4 | | InChi: | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | | Synonyms: | (-)-Epigallocatechin-3-gallate | | Definition date: | 2009-01-13 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate |
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 | | KEU | | Name: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID | | Formula: | C22 H30 F3 N5 O8 | | SMILES: | O=C1NC(N)NC(N)C1CCCC(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)C(O)(O)C(F)(F)F | | InChi: | InChI=1S/C22H30F3N5O8/c23-22(24,25)21(37,38)13(3-1-2-12-16(26)29-20(27)30-18(12)34)10-4-6-11(7-5-10)17(33)28-14(19(35)36)8-9-15(31)32/h4-7,12-14,16,20,29,37-38H,1-3,8-9,26-27H2,(H,28,33)(H,30,34)(H,31,32)(H,35,36)/t12?,13-,14+,16+,20-/m1/s1 | | Synonyms: | 10-CF3C(OH)2-DDACTHF | | Definition date: | 2003-02-20 | | Last modified: | 2020-05-27 | | Identifier: | N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid |
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 | | FR4 | | Name: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | | Formula: | C25 H27 N5 O3 | | SMILES: | O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4ccccc4 | | InChi: | InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)/t21-/m1/s1 | | Synonyms: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPYL)AMINO]-1H-INDOL-1-YL}-1H-IMIDAZOLE-4-CARBOXAMIDE | | Definition date: | 2003-10-05 | | Last modified: | 2020-05-27 | | Identifier: | 1-[(1R)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide |
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 | | FSE | | Name: | 3,7,3',4'-TETRAHYDROXYFLAVONE | | Formula: | C15 H10 O6 | | SMILES: | O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3 | | InChi: | InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | | Synonyms: | Fisetin | | Definition date: | 2004-10-14 | | Last modified: | 2020-05-27 | | Identifier: | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one |
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 | | 32Z | | Name: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one | | Formula: | C18 H26 N2 O2 | | SMILES: | O=C3c2cccc(OCCCCN1CCCCC1)c2CCN3 | | InChi: | InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21) | | Definition date: | 2014-06-05 | | Last modified: | 2020-05-27 | | Release date: | 2014-11-05 | | Identifier: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one |
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 | | M77 | | Name: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=S(=O)(c2c1ccncc1ccc2)N3CCCNCC3 | | InChi: | InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | | Synonyms: | Fasudil | | Definition date: | 2003-08-26 | | Last modified: | 2020-05-27 | | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
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 | | MG8 | | Name: | N-OCTANOYL-N-METHYLGLUCAMINE | | Formula: | C15 H31 N O6 | | SMILES: | O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC | | InChi: | InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3 | | Synonyms: | MEGA 8 | | Definition date: | 2003-08-26 | | Last modified: | 2020-05-27 | | Identifier: | 1-deoxy-1-[methyl(octanoyl)amino]hexitol |
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 | | MIX | | Name: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE | | Formula: | C22 H28 N4 O6 | | SMILES: | O=C2c1c(c(NCCNCCO)ccc1NCCNCCO)C(=O)c3c2c(O)ccc3O | | InChi: | InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 | | Synonyms: | MITOXANTRONE | | Definition date: | 2006-02-03 | | Last modified: | 2020-05-27 | | Identifier: | 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione |
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 | | D2V | | Name: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol | | Formula: | C28 H44 O | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)/C(=C)CC3 | | InChi: | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 | | Synonyms: | Vitamin D2 | | Definition date: | 2008-04-30 | | Last modified: | 2020-05-27 | | Identifier: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol |
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 | | D4M | | Name: | [(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H13 N2 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C=C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | | Synonyms: | 2',3'-DIDEOXY-2',3-DIDEHYDROTHYMIDINE 5'-MONOPHOSPHATE | | Definition date: | 2005-05-10 | | Last modified: | 2020-05-27 | | Identifier: | [(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate |
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 | | EH9 | | Name: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol | | Formula: | C14 H23 N5 O | | SMILES: | n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N | | InChi: | InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1 | | Synonyms: | Erythro-9-[3-(2-hydroxynonyl)] adenine | | Definition date: | 2007-08-22 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol |
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 | | 779 | | Name: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea | | Formula: | C26 H39 N5 O2 | | SMILES: | O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)Nc2ccccc2)C3)CCC4CCCCC4)C | | InChi: | InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | | Definition date: | 2014-09-08 | | Last modified: | 2020-05-27 | | Release date: | 2014-11-05 | | Identifier: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea |
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 | | EOD | | Name: | 11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID | | Formula: | C18 H34 O3 | | SMILES: | O=C(O)CCCCCCCCCCC1OC1CCCCC | | InChi: | InChI=1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1 | | Synonyms: | (+-)-CIS-12,13-EPOXY-9(Z)-OCTADECANOIC ACID | | Definition date: | 2006-04-03 | | Last modified: | 2020-05-27 | | Identifier: | 11-[(2R,3S)-3-pentyloxiran-2-yl]undecanoic acid |
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 | | EQ3 | | Name: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one | | Formula: | C40 H54 O2 | | SMILES: | CC1(CC(O)CC(C)=C1[C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C=2C(CCC(C=2C)=O)(C)C)C | | InChi: | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1 | | Synonyms: | 3'-Hydroxyechinenone | | Definition date: | 2016-12-19 | | Last modified: | 2020-05-27 | | Release date: | 2017-01-18 | | Identifier: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one |
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 | | ERU | | Name: | (13Z)-docos-13-enamide | | Formula: | C22 H43 N O | | SMILES: | O=C(N)CCCCCCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- | | Synonyms: | Erucamide | | Definition date: | 2009-06-09 | | Last modified: | 2020-05-27 | | Identifier: | (13Z)-docos-13-enamide |
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 | | GW5 | | Name: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID | | Formula: | C25 H22 O2 | | SMILES: | O=C(O)C=Cc3ccc(C(=C(/c1ccccc1)CC)c2ccccc2)cc3 | | InChi: | InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23- | | Synonyms: | GW5638 | | Definition date: | 2003-10-15 | | Last modified: | 2020-05-27 | | Identifier: | (2E)-3-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenyl}prop-2-enoic acid |
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 | | NCG | | Name: | [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE | | Formula: | C45 H52 N4 O18 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)C | | InChi: | InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1 | | Synonyms: | NCSI-GLU | | Definition date: | 2002-09-26 | | Last modified: | 2020-05-27 | | Identifier: | D-gamma-glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-{[(2-hydroxy-7-methoxy-5-methylnaphthalen-1-yl)carbonyl]oxy}-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-tetrahydro-s-indacen-1-yl}-L-cysteinylglycine |
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 | | NCV | | Name: | N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine | | Formula: | C10 H16 N2 O4 | | SMILES: | O=C1C(=C(N(C(=O)N1)C)CC(CO)CO)C | | InChi: | InChI=1S/C10H16N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h7,13-14H,3-5H2,1-2H3,(H,11,15,16) | | Synonyms: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | | Definition date: | 2008-10-29 | | Last modified: | 2020-05-27 | | Identifier: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
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 | | OSC | | Name: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C34 H44 N6 O5 | | SMILES: | O=C(NC(C(=O)N1C3CC(O)CCC3CC1C(=O)NCCC2=CCN(C(=[N@H])N)C2)Cc4ccccc4)C(O)Cc5ccccc5 | | InChi: | InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25-,26+,27+,28-,29-,30+/m0/s1 | | Synonyms: | OSCILLARIN | | Definition date: | 2004-01-14 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3aS,6R,7aS)-N-[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-phenylpropanoyl]amino}-3-phenylpropanoyl]octahydro-1H-indole-2-carboxamide (non-preferred name) |
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 | | P1A | | Name: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | | Formula: | C27 H44 O6 | | SMILES: | O=C1C=C3C(C2(CC(O)C(O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CCC34O | | InChi: | InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1 | | Synonyms: | PONASTERONE A | | Definition date: | 2003-09-25 | | Last modified: | 2020-05-27 | | Identifier: | (2alpha,3alpha,5alpha,22R)-2,3,14,20,22-pentahydroxycholest-7-en-6-one |
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 | | LLT | | Name: | L-deoxythymidine | | Formula: | C10 H14 N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO | | InChi: | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1 | | Synonyms: | L-thymidine | | Definition date: | 2009-06-04 | | Last modified: | 2020-05-27 | | Identifier: | 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | LUT | | Name: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL | | Formula: | C40 H56 O2 | | SMILES: | OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1C(=CC(O)CC1(C)C)C)C)C)C)C)C(C)(C)C2)C | | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1 | | Synonyms: | (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL | | Definition date: | 2003-12-22 | | Last modified: | 2020-05-27 | | Identifier: | (3R,3'S,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol |
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 | | M1L | | Name: | 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID | | Formula: | C24 H30 N4 O7 S | | SMILES: | O=C(O)C(ON=C2/c1cc(c3c(c1NC2=O)CN(CC3)C)c4ccc(cc4)S(O)(O)N(C)C)CCO | | InChi: | InChI=1S/C24H30N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29,33-34H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)/t20-/m0/s1 | | Synonyms: | SPD 502 | | Definition date: | 2003-08-05 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-({[(3E)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino}oxy)-4-hydroxybutanoic acid |
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 | | DR6 | | Name: | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | | Formula: | C74 H142 O31 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C | | InChi: | InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3 | | Synonyms: | OCTYLPHENOXYPOLYETHOXYETHANOL | | Definition date: | 2005-03-16 | | Last modified: | 2020-05-27 | | Identifier: | 89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol |
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