 | | K37 | | Name: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE | | Formula: | C8 H4 Br4 N2 S | | SMILES: | Brc2c1nc(SC)nc1c(Br)c(Br)c2Br | | InChi: | InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14) | | Synonyms: | S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE | | Definition date: | 2005-05-18 | | Last modified: | 2020-06-17 | | Identifier: | 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1H-benzimidazole |
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 | | K44 | | Name: | 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE | | Formula: | C10 H7 Br4 N3 | | SMILES: | Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C | | InChi: | InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3 | | Synonyms: | N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE | | Definition date: | 2005-05-18 | | Last modified: | 2020-06-17 | | Identifier: | 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole |
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 | | K53 | | Name: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2
-oxo-1,3-oxazolidine-5-carboxamide | | Formula: | C31 H35 N3 O9 S | | SMILES: | O=C(NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c3cc2OCOc2cc3)C5OC(=O)N(c4c(O)cccc4)C5 | | InChi: | InChI=1S/C31H35N3O9S/c1-20(2)16-33(44(39,40)22-12-13-27-28(15-22)42-19-41-27)17-26(36)23(14-21-8-4-3-5-9-21)32-30(37)29-18-34(31(38)43-29)24-10-6-7-11-25(24)35/h3-13,15,20,23,26,29,35-36H,14,16-19H2,1-2H3,(H,32,37)/t23-,26+,29-/m0/s1 | | Synonyms: | (5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(2-hydroxyp
henyl)-2-oxooxazolidine-5-carboxamide | | Definition date: | 2010-05-12 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide |
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 | | K55 | | Name: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | | Formula: | C24 H27 F4 N O4 | | SMILES: | FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OCCCC)CC(C(=O)O)CC | | InChi: | InChI=1S/C24H27F4NO4/c1-3-5-10-33-21-9-6-15(11-16(4-2)23(31)32)12-17(21)14-29-22(30)19-8-7-18(13-20(19)25)24(26,27)28/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,29,30)(H,31,32)/t16-/m0/s1 | | Synonyms: | (S)-2-{4-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]benzyl} butyric acid | | Definition date: | 2008-05-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid |
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 | | K57 | | Name: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli
dine-4-carboxamide | | Formula: | C28 H37 N3 O5 S | | SMILES: | O=C(NC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)c1cccc(O)c1C)Cc2ccccc2)CSC3(C)C | | InChi: | InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1 | | Synonyms: | KNI-577 | | Definition date: | 2002-10-11 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | K60 | | Name: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr
ifluoromethyl)phenyl]-5-oxazolidinecarboxamide | | Formula: | C32 H34 F3 N3 O8 S | | SMILES: | FC(F)(F)c1cc(ccc1)N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4OCOc4c3)C5 | | InChi: | InChI=1S/C32H34F3N3O8S/c1-20(2)16-37(47(42,43)24-11-12-27-28(15-24)45-19-44-27)17-26(39)25(13-21-7-4-3-5-8-21)36-30(40)29-18-38(31(41)46-29)23-10-6-9-22(14-23)32(33,34)35/h3-12,14-15,20,25-26,29,39H,13,16-19H2,1-2H3,(H,36,40)/t25-,26+,29-/m0/s1 | | Synonyms: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[3-(trifluoro
methyl)phenyl]-1,3-oxazolidine-5-carboxamide | | Definition date: | 2009-03-06 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide |
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 | | K62 | | Name: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr
opyl]-2-oxo-5-oxazolidinecarboxamide | | Formula: | C33 H37 N3 O9 S | | SMILES: | O=C(c1cc(ccc1)N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4OCOc4c3)C5)C | | InChi: | InChI=1S/C33H37N3O9S/c1-21(2)17-35(46(41,42)26-12-13-29-30(16-26)44-20-43-29)18-28(38)27(14-23-8-5-4-6-9-23)34-32(39)31-19-36(33(40)45-31)25-11-7-10-24(15-25)22(3)37/h4-13,15-16,21,27-28,31,38H,14,17-20H2,1-3H3,(H,34,39)/t27-,28+,31-/m0/s1 | | Synonyms: | (5S)-3-(3-acetylphenyl)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-
oxo-1,3-oxazolidine-5-carboxamide | | Definition date: | 2009-03-06 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-3-(3-acetylphenyl)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-1,3-oxazolidine-5-carboxamide |
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 | | 4HC | | Name: | 4-HYDROXY-2H-CHROMEN-2-ONE | | Formula: | C9 H6 O3 | | SMILES: | O=C2Oc1ccccc1C(O)=C2 | | InChi: | InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H | | Synonyms: | 4-HYDROXY-1-BENZOPYRAN-2-ONE | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-hydroxy-2H-chromen-2-one |
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 | | 4HF | | Name: | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC
ACID | | Formula: | C19 H23 N5 O6 S | | SMILES: | O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O | | InChi: | InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1 | | Synonyms: | 6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID | | Definition date: | 2006-02-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid |
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 | | 4J3 | | Name: | amino(aminooxy)sulfane dioxide | | Formula: | H4 N2 O3 S | | SMILES: | NS(=O)(ON)=O | | InChi: | InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4) | | Synonyms: | Hydroxylamine-O-sulfonamide | | Definition date: | 2015-03-20 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-30 | | Identifier: | amino(aminooxy)sulfane dioxide |
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 | | K95 | | Name: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami
no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C37 H44 N4 O6 S2 | | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)C(NC(=O)Cc3ccccc3)CSC)Cc4ccccc4)CSC5(C)C | | InChi: | InChI=1S/C37H44N4O6S2/c1-37(2)33(35(46)40-31-26-17-11-10-16-25(26)20-29(31)42)41(22-49-37)36(47)32(44)27(18-23-12-6-4-7-13-23)39-34(45)28(21-48-3)38-30(43)19-24-14-8-5-9-15-24/h4-17,27-29,31-33,42,44H,18-22H2,1-3H3,(H,38,43)(H,39,45)(H,40,46)/t27-,28-,29+,31-,32-,33+/m0/s1 | | Synonyms: | KNI-10395 | | Definition date: | 2011-04-12 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | 4JF | | Name: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11
'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino
-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside | | Formula: | C68 H90 N6 O24 | | SMILES: | c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O | | InChi: | InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1 | | Synonyms: | Lomaiviticin A | | Definition date: | 2016-03-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-01 | | Identifier: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
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 | | KAA | | Name: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H26 N8 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN | | InChi: | InChI=1S/C16H26N8O7S/c17-4-2-1-3-8(18)15(27)23-32(28,29)30-5-9-11(25)12(26)16(31-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,16,25-26H,1-5,17-18H2,(H,23,27)(H2,19,20,21)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-lysylsulfamoyl)adenosine |
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 | | 4KL | | Name: | Xanthuric acid | | Formula: | C10 H7 N O4 | | SMILES: | Oc1cc(C(O)=O)nc2c1cccc2O | | InChi: | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) | | Synonyms: | Xanthurenate | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-18 | | Identifier: | 4,8-dihydroxyquinoline-2-carboxylic acid |
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 | | 4KO | | Name: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia
-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C15 H17 N7 O5 S3 | | SMILES: | N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O | | InChi: | InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1 | | Synonyms: | Cefmetazole | | Definition date: | 2013-05-13 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-05 | | Identifier: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | KAI | | Name: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE | | Formula: | C10 H15 N O4 | | SMILES: | O=C(O)C1NCC(C(=C)C)C1CC(=O)O | | InChi: | InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 | | Synonyms: | KAINATE | | Definition date: | 1999-09-22 | | Last modified: | 2020-06-17 | | Identifier: | (3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-L-proline |
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 | | 4KR | | Name: | 7-aminocephalosporanic acid | | Formula: | C10 H12 N2 O5 S | | SMILES: | O=C(O)C=1N2C(=O)C(N)C2SCC=1COC(=O)C | | InChi: | InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1 | | Synonyms: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Definition date: | 2013-05-29 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-05 | | Identifier: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | KB0 | | Name: | 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol | | Formula: | C22 H18 O2 | | SMILES: | c3(c2CC(c1ccc(cc1)O)=C(c2cc(c3)O)c4ccccc4)C | | InChi: | InChI=1S/C22H18O2/c1-14-11-18(24)12-21-19(14)13-20(15-7-9-17(23)10-8-15)22(21)16-5-3-2-4-6-16/h2-12,23-24H,13H2,1H3 | | Synonyms: | KB095285 | | Definition date: | 2015-04-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-29 | | Identifier: | 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol |
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 | | 4LS | | Name: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono
-D-ribitol | | Formula: | C22 H31 N4 O9 P | | SMILES: | C=12N(c3c(N(CC(C(C(COP(=O)(O)O)O)O)O)C=1NC(=O)NC2=O)cc(C)c(C)c3)CC=C(/C)C | | InChi: | InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1 | | Synonyms: | dimethylallyl FMN | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | 4LU | | Name: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y
l)-D-ribitol | | Formula: | C22 H30 N4 O9 P | | SMILES: | c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C | | InChi: | InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1 | | Synonyms: | prenylated-FMN iminium form | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol |
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 | | KBP | | Name: | S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate | | Formula: | C14 H27 N O3 S | | SMILES: | O=C(SCCNC(=O)C)CC(O)CCCCCCC | | InChi: | InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)11-14(18)19-10-9-15-12(2)16/h13,17H,3-11H2,1-2H3,(H,15,16)/t13-/m1/s1 | | Synonyms: | 3-hydroxydecanoyl-N-acetylcysteamine | | Definition date: | 2012-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2012-11-23 | | Identifier: | S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate |
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 | | KBR | | Name: | Icaridin | | Formula: | C12 H23 N O3 | | SMILES: | CC[CH](C)OC(=O)N1CCCC[CH]1CCO | | InChi: | InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1 | | Synonyms: | Picaridin | | Definition date: | 2015-11-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | [(2~{R})-butan-2-yl] (2~{S})-2-(2-hydroxyethyl)piperidine-1-carboxylate |
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 | | 4M4 | | Name: | 2-Methoxy-4-vinylphenol | | Formula: | C9 H10 O2 | | SMILES: | c1(O)c(OC)cc(cc1)C=C | | InChi: | InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3 | | Synonyms: | 4-vinyl guaiacol | | Definition date: | 2015-04-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 4-ethenyl-2-methoxyphenol |
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 | | 4MJ | | Name: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1
,8-fg]pteridin-7-yl]-D-ribitol | | Formula: | C30 H37 N4 O10 P | | SMILES: | c2c5N(C=1NC(NC(C=1N3c5c(c(c2C)C)C(C)(CC3C(=O)Cc4ccccc4)C)=O)=O)CC(C(C(COP(O)(O)=O)O)O)O | | InChi: | InChI=1S/C30H37N4O10P/c1-15-10-18-24-23(16(15)2)30(3,4)12-19(20(35)11-17-8-6-5-7-9-17)34(24)25-27(31-29(40)32-28(25)39)33(18)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,19,21-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,31,32,39,40)/t19-,21-,22+,26-/m0/s1 | | Synonyms: | phenylpyruvate derived adduct to prenylated FMN cofactor | | Definition date: | 2015-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol |
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 | | 4ML | | Name: | [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | Formula: | C7 H8 O4 | | SMILES: | O=C1OC(C=C1)(CC(=O)O)C | | InChi: | InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/t7-/m1/s1 | | Synonyms: | 4-methylmuconolactone | | Definition date: | 2009-05-14 | | Last modified: | 2020-06-17 | | Identifier: | [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
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