 | | UMP | | Name: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Synonyms: | DUMP | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-5'-uridylic acid |
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 | | TGF | | Name: | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM
INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID | | Formula: | C30 H37 N9 O13 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O | | InChi: | InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1 | | Synonyms: | TRIGLU-5-FORMYL-TETRAHYDROFOLATE | | Definition date: | 2002-12-02 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
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 | | REC | | Name: | CEPHALOSPORIN | | Formula: | C15 H21 N3 O7 S | | SMILES: | O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(C(=C)CS1)C(=O)O | | InChi: | InChI=1S/C15H21N3O7S/c1-7-6-26-12(18-10(7)14(22)23)11(15(24)25)17-9(19)5-3-2-4-8(16)13(20)21/h8,11-12H,1-6,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t8-,11+,12-/m1/s1 | | Synonyms: | (2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy
lic acid | | Definition date: | 2007-11-14 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | NPR | | Name: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE | | Formula: | C9 H13 N5 O4 | | SMILES: | O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)CO)N | | InChi: | InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1 | | Synonyms: | 7,8-DIHYDRONEOPTERIN | | Definition date: | 2003-12-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(1H)-one |
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 | | NPS | | Name: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | | Formula: | C14 H14 O3 | | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | | Synonyms: | NAPROXEN | | Definition date: | 2007-10-04 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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 | | REF | | Name: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione | | Formula: | C14 H6 O8 | | SMILES: | O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O | | InChi: | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H | | Synonyms: | Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone | | Definition date: | 2008-03-12 | | Last modified: | 2020-06-17 | | Identifier: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione |
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 | | XT0 | | Name: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile | | Formula: | C21 H20 N4 O2 | | SMILES: | Oc1cc(Cn2cc(nn2)C3CCCC3)ccc1Oc4ccccc4C#N | | InChi: | InChI=1S/C21H20N4O2/c22-12-17-7-3-4-8-20(17)27-21-10-9-15(11-19(21)26)13-25-14-18(23-24-25)16-5-1-2-6-16/h3-4,7-11,14,16,26H,1-2,5-6,13H2 | | Synonyms: | PT512 | | Definition date: | 2017-01-10 | | Last modified: | 2020-06-17 | | Release date: | 2017-02-15 | | Identifier: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile |
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 | | XT2 | | Name: | (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(
2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p
yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid | | Formula: | C44 H68 O13 | | SMILES: | O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5)CC6)C)C(O)CC7 | | InChi: | InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28+,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1 | | Synonyms: | DINOPHYSISTOXIN-2 | | Definition date: | 2009-10-22 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid |
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 | | REN | | Name: | (S)-reticuline | | Formula: | C19 H23 N O4 | | SMILES: | O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c2)CCN3C)C | | InChi: | InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1 | | Synonyms: | (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol | | Definition date: | 2008-06-04 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol |
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 | | T25 | | Name: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid | | Formula: | C18 H32 O3 | | SMILES: | O=C(O)CCCCCCC/C=CCC1OC1CCCCC | | InChi: | InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1 | | Synonyms: | 12R,13S-epoxy-9(Z)-octadecenoic acid | | Definition date: | 2007-10-10 | | Last modified: | 2020-06-17 | | Identifier: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid |
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 | | UN3 | | Name: | (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID | | Formula: | C10 H11 N3 O3 S | | SMILES: | O=S(=O)(O)Nc1cc(nn1C)c2ccccc2 | | InChi: | InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16) | | Synonyms: | 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID | | Definition date: | 2005-12-01 | | Last modified: | 2020-06-17 | | Identifier: | (1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid |
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 | | TGT | | Name: | TAGETITOXIN | | Formula: | C11 H17 N2 O11 P S | | SMILES: | O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O | | InChi: | InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1 | | Synonyms: | (1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY
LIC ACID | | Definition date: | 2005-11-01 | | Last modified: | 2020-06-17 | | Identifier: | (1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name) |
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 | | SN3 | | Name: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTA
HYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE | | Formula: | C26 H43 Cl N6 O10 S | | SMILES: | O=S(=O)(O)OCC(OC)C(=O)NC(C(=O)N2C(C(=O)NCCC1=CCN(C(=[N@H])N)C1)CC3CC(O)C(O)CC23)C(Cl)C(C)C | | InChi: | InChI=1S/C26H43ClN6O10S/c1-13(2)21(27)22(31-24(37)20(42-3)12-43-44(39,40)41)25(38)33-16-10-19(35)18(34)9-15(16)8-17(33)23(36)30-6-4-14-5-7-32(11-14)26(28)29/h5,13,15-22,34-35H,4,6-12H2,1-3H3,(H3,28,29)(H,30,36)(H,31,37)(H,39,40,41)/t15-,16+,17+,18+,19+,20-,21-,22-/m1/s1 | | Synonyms: | CHLORODYSINOSIN | | Definition date: | 2006-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chloro-4-methyl-1-oxopentan-2-yl}amino)-2-methoxy-3-oxopropyl hydrogen sulfate (non-preferred name) |
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 | | T27 | | Name: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile | | Formula: | C22 H18 N6 | | SMILES: | N#CC=Cc1cc(c(c(c1)C)Nc2nc(ncc2)Nc3ccc(C#N)cc3)C | | InChi: | InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+ | | Synonyms: | Rilpivirine | | Definition date: | 2007-11-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile |
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 | | SN9 | | Name: | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | | Formula: | C30 H47 N5 O2 | | SMILES: | O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cccc(OC)c3N(C)CC=4)CC5 | | InChi: | InChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23+,24? | | Synonyms: | SN8224 | | Definition date: | 2005-05-20 | | Last modified: | 2020-06-17 | | Identifier: | cis-4-[(8-methoxy-1-methyl-1,2-dihydroquinolin-4-yl)amino]-N-{trans-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide |
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 | | V35 | | Name: | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | | Formula: | C10 H14 B Cl N O4 | | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | | InChi: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1 | | Synonyms: | D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-) |
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 | | V36 | | Name: | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | | Formula: | C10 H14 B Cl N O4 | | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | | InChi: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1 | | Synonyms: | L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-) |
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 | | ZDA | | Name: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) | | Formula: | C10 H16 N5 O11 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C | | InChi: | InChI=1S/C10H16N5O11P3/c1-5-6(24-28(19,20)26-29(21,22)25-27(16,17)18)2-7(23-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 | | Synonyms: | 2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE | | Definition date: | 2014-10-29 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-02 | | Identifier: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) |
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 | | REW | | Name: | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID | | Formula: | C30 H28 N2 O6 | | SMILES: | O=C(O)C2N(c1ccc(OC)cc1)C(=O)C2Cc5cc(OCCc3nc(oc3C)c4ccccc4)ccc5 | | InChi: | InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1 | | Synonyms: | 4-[2-(3-{[(2S,3S)-2-carboxy-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]methyl}phenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazol-3
-ium | | Definition date: | 2007-10-30 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3S)-1-(4-methoxyphenyl)-3-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-4-oxoazetidine-2-carboxylic acid |
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 | | XTH | | Name: | 1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C11 H17 N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)CC2)COP(=O)(O)O | | InChi: | InChI=1S/C11H17N2O8P/c1-6-4-13(11(16)12-10(6)15)9-3-2-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1 | | Synonyms: | 2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL THYMINE | | Definition date: | 2006-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | RTE | | Name: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid | | Formula: | C22 H16 Cl F N2 O4 | | SMILES: | c1(c(F)cc(cc1)Oc2cc3c(cc2)nc(n3C)COc4cc(ccc4)C(O)=O)Cl | | InChi: | InChI=1S/C22H16ClFN2O4/c1-26-20-11-16(30-15-5-7-17(23)18(24)10-15)6-8-19(20)25-21(26)12-29-14-4-2-3-13(9-14)22(27)28/h2-11H,12H2,1H3,(H,27,28) | | Synonyms: | 4-[[6-(4-chloro-3-fluoro-phenoxy)-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | | Definition date: | 2018-01-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid |
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 | | ZDM | | Name: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C21 H40 O11 | | SMILES: | O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1 | | Synonyms: | nonyl-beta-D-maltoside | | Definition date: | 2011-03-03 | | Last modified: | 2020-06-17 | | Identifier: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | VIT | | Name: | VITAMIN E | | Formula: | C29 H50 O2 | | SMILES: | Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C | | InChi: | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1 | | Synonyms: | 2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL | | Definition date: | 2000-08-02 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol |
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 | | TH9 | | Name: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid | | Formula: | C19 H27 N O5 | | SMILES: | O=C(O)C(O)=CC(=O)NCCCc1cc(OCCCCCC)ccc1 | | InChi: | InChI=1S/C19H27NO5/c1-2-3-4-5-12-25-16-10-6-8-15(13-16)9-7-11-20-18(22)14-17(21)19(23)24/h6,8,10,13-14,21H,2-5,7,9,11-12H2,1H3,(H,20,22)(H,23,24)/b17-14- | | Synonyms: | BPH-1063 | | Definition date: | 2011-08-24 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid |
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 | | R18 | | Name: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE | | Formula: | C19 H24 O2 | | SMILES: | O=C4C=C3C(=C2C=CC1(C(CCC1(O)C)C2CC3)C)CC4 | | InChi: | InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | | Synonyms: | METHYLTRIENOLONE | | Definition date: | 2000-06-15 | | Last modified: | 2020-06-17 | | Identifier: | (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one |
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