 | | 3GB | | Name: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | | Formula: | C62 H117 N O18 | | SMILES: | O=C(NC(C(O)/C=C/CCCCCCCCCCCCC)COC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | | Synonyms: | Globotrihexosylceramide | | Definition date: | 2011-08-04 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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 | | 3H1 | | Name: | 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde | | Formula: | C23 H29 Cl O4 | | SMILES: | O=Cc1c(O)c(c(O)c(Cl)c1C)C/C=C(/C=C/C2(C)C(C(=O)CCC2C)C)C | | InChi: | InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1 | | Synonyms: | ASCOCHLORIN | | Definition date: | 2009-04-13 | | Last modified: | 2021-03-01 | | Identifier: | 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde |
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 | | L04 | | Name: | 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID | | Formula: | C43 H48 F N3 O5 | | SMILES: | O=C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)cc2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)CC(C)C | | InChi: | InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1 | | Synonyms: | L004 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid |
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 | | 3HG | | Name: | 3-HYDROXYPENTANEDIOIC ACID | | Formula: | C5 H8 O5 | | SMILES: | O=C(O)CC(O)CC(=O)O | | InChi: | InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) | | Synonyms: | 3-HYDROXYGLUTARIC ACID | | Definition date: | 2005-06-22 | | Last modified: | 2021-03-01 | | Identifier: | 3-hydroxypentanedioic acid |
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 | | L0S | | Name: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate | | Formula: | C8 H19 N2 O2 P | | SMILES: | COP(/N=C(/N(CC)CC)C)(=O)C | | InChi: | InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1 | | Synonyms: | A-232 | | Definition date: | 2019-01-30 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-01 | | Identifier: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
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 | | 3IL | | Name: | 3-(INDOL-3-YL) LACTATE | | Formula: | C11 H11 N O3 | | SMILES: | O=C(O)C(O)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1 | | Synonyms: | (2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID | | Definition date: | 2005-09-07 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
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 | | 3IT | | Name: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one | | Formula: | C10 H10 O2 | | SMILES: | C=C(/C)C=1C=CC=CC(=O)C=1O | | InChi: | InChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12) | | Synonyms: | 3-isopropenyl-tropolone | | Definition date: | 2015-03-20 | | Last modified: | 2021-03-01 | | Release date: | 2015-10-21 | | Identifier: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one |
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 | | 3JN | | Name: | 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid | | Formula: | C12 H10 O6 | | SMILES: | O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O | | InChi: | InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+ | | Synonyms: | 3-carboxy-propenyl-phthalic acid | | Definition date: | 2014-08-27 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-10 | | Identifier: | 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid |
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 | | 3K5 | | Name: | 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose | | Formula: | C40 H52 O17 | | SMILES: | O=C(OC1C(O)C(OC(C)C1O)OC7C(OC(=O)C)C(O)C(OC7OC(=O)C6CCC5C(OC3(OCC(C(OC(=O)C=Cc2ccccc2)C3)C)C54OC4)C6)C)C | | InChi: | InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1 | | Synonyms: | Phyllanthoside | | Definition date: | 2014-08-29 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose |
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 | | L37 | | Name: | [[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID | | Formula: | C17 H19 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(nc(O)c2N)N)CCC(=O)O | | InChi: | InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1 | | Synonyms: | LY374571 | | Definition date: | 1999-12-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[(4-{[(2,5-diamino-6-hydroxypyrimidin-4-yl)carbamoyl]amino}phenyl)carbonyl]-L-glutamic acid |
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 | | L3A | | Name: | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid | | Formula: | C9 H20 N O4 P | | SMILES: | O=P(O)(C(N)CC(C)C)CC(C(=O)O)C | | InChi: | InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1 | | Synonyms: | L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE | | Definition date: | 2010-06-18 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
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 | | 3KK | | Name: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate | | Formula: | C25 H42 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)(C)C | | InChi: | InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,16-,17-,18+,22-/m1/s1 | | Synonyms: | 2-Hydroxyisobutyryl-Coenzyme A | | Definition date: | 2014-09-04 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-11 | | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate (non-preferred name) |
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 | | 3KL | | Name: | (5beta,9beta)-3-oxocholan-24-oic acid | | Formula: | C24 H38 O3 | | SMILES: | O=C(O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C | | InChi: | InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 | | Synonyms: | 3-keto-lithocholic acid | | Definition date: | 2013-02-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | (5beta,9beta)-3-oxocholan-24-oic acid |
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 | | 3L1 | | Name: | (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol | | Formula: | C10 H13 N5 O3 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1 | | Synonyms: | L-2'-deoxyadenosine | | Definition date: | 2008-02-18 | | Last modified: | 2021-03-01 | | Identifier: | 9-(2-deoxy-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine |
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 | | 3L2 | | Name: | (4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione | | Formula: | C27 H34 O9 | | SMILES: | O=C1OC5CC4OC2C=C(C)CCC2(COC(=O)C(O)C(C)CCOC(=O)C=CC=C1)C5(C)C34OC3 | | InChi: | InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1 | | Synonyms: | Verrucarin A | | Definition date: | 2014-09-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | (4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione |
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 | | 3LA | | Name: | 3-OXODODECANOIC ACID | | Formula: | C12 H22 O3 | | SMILES: | O=C(CCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15) | | Synonyms: | 3-OXO-LAURIC ACID | | Definition date: | 2009-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-oxododecanoic acid |
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 | | TAP | | Name: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Formula: | C21 H28 N7 O16 P3 S | | SMILES: | NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | TATP | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
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 | | 3M5 | | Name: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide | | Formula: | C14 H23 N O4 | | SMILES: | O=C1OCCC1NC(=O)CC(=O)CCCCCCC | | InChi: | InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1 | | Synonyms: | N-(3-Oxodecanoyl)-L-homoserine lactone | | Definition date: | 2014-09-22 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-25 | | Identifier: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide |
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 | | TAX | | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM | | Formula: | C26 H30 N O | | SMILES: | O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C | | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+ | | Synonyms: | CIS FORM OF TAMOXIFEN | | Definition date: | 2000-08-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium |
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 | | TAY | | Name: | 2,2-dimethylpropanamide | | Formula: | C5 H11 N O | | SMILES: | CC(C)(C)C(N)=O | | InChi: | InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) | | Synonyms: | Trimethylacetamide | | Definition date: | 2009-10-07 | | Last modified: | 2021-03-01 | | Identifier: | 2,2-dimethylpropanamide |
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 | | 3ML | | Name: | [(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | Formula: | C7 H8 O4 | | SMILES: | O=C1OC(C(=C1)C)CC(=O)O | | InChi: | InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/t5-/m0/s1 | | Synonyms: | 3-methylmuconolactone | | Definition date: | 2009-05-14 | | Last modified: | 2021-03-01 | | Identifier: | [(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
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 | | TBH | | Name: | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID | | Formula: | C31 H47 N3 O9 | | SMILES: | O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC | | InChi: | InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1 | | Synonyms: | PNU177836 | | Definition date: | 2001-06-26 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid |
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 | | TBL | | Name: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine | | Formula: | C10 H13 N O5 S | | SMILES: | O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C | | InChi: | InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1 | | Synonyms: | (R)-2-(4-methoxyphenylsulfonamido)propanoic acid | | Definition date: | 2008-09-18 | | Last modified: | 2021-03-01 | | Identifier: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine |
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 | | TBQ | | Name: | (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol | | Formula: | C16 H22 Cl N3 O | | SMILES: | CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2 | | InChi: | InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1 | | Synonyms: | (R)-tebuconazole | | Definition date: | 2015-10-20 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-10 | | Identifier: | (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol |
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 | | TCE | | Name: | 3,3',3''-phosphanetriyltripropanoic acid | | Formula: | C9 H15 O6 P | | SMILES: | O=C(O)CCP(CCC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15) | | Synonyms: | 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid | | Definition date: | 2009-01-12 | | Last modified: | 2021-03-01 | | Identifier: | 3,3',3''-phosphanetriyltripropanoic acid |
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