 | | 19F | | Name: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one | | Formula: | C27 H32 N4 O4 | | SMILES: | O=C1c3c(nc(n3N=C(N1)Cc2ccc(OC)c(OC)c2)C(CCCc4ccccc4)C(O)C)C | | InChi: | InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | | Synonyms: | BAY60-7550 | | Definition date: | 2012-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one |
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 | | 1BD | | Name: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid | | Formula: | C11 H10 F3 N O3 | | SMILES: | FC(F)(F)c1ccccc1C=NOCCC(=O)O | | InChi: | InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+ | | Synonyms: | (E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid | | Definition date: | 2009-03-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid |
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 | | 1C1 | | Name: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi
nium | | Formula: | C19 H20 Cl F N5 O2 | | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3CNC(=[NH2+])N | | InChi: | InChI=1S/C19H19ClFN5O2/c20-14-6-5-12(8-15(14)21)25-17(27)18(28)26-16-11(9-24-19(22)23)7-10-3-1-2-4-13(10)16/h1-6,8,11,16H,7,9H2,(H,25,27)(H,26,28)(H4,22,23,24)/p+1/t11-,16-/m1/s1 | | Synonyms: | [amino({[(1R,2R)-1-{[(4-chloro-3- fluorophenyl)carbamoyl]formamido}-2,3-dihydro-1H-
inden-2-yl]methyl}amino)methylidene]azanium | | Definition date: | 2012-11-30 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-29 | | Identifier: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methaniminium |
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 | | 1F5 | | Name: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1
1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de
cahydrodicyclopenta[a,d][8]annulene-1,5-diol | | Formula: | C33 H50 O11 | | SMILES: | O4C(C5OC6C(O)C(OC3C1=C(C(C)C)CCC1(C=C2C(O)(COC)CCC2C(C)C3O)C)OC(C46O5)COC)(C7OC7)C | | InChi: | InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1 | | Synonyms: | Cotylenin A | | Definition date: | 2013-01-11 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-25 | | Identifier: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name) |
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 | | 1FL | | Name: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | | Formula: | C13 H8 F2 O3 | | SMILES: | O=C(O)c1cc(ccc1O)c2ccc(F)cc2F | | InChi: | InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | | Synonyms: | Diflunisal | | Definition date: | 2005-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid |
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 | | 1FV | | Name: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide | | Formula: | C26 H36 N6 O2 | | SMILES: | O=C(NCCCNc1nc(ncc1C2CC2)Nc3cc(ccc3)CN4CCOCC4)C5CCC5 | | InChi: | InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31) | | Synonyms: | MRT67307 | | Definition date: | 2013-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-06 | | Identifier: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide |
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 | | 1GA | | Name: | Geraniline | | Formula: | C16 H21 N | | SMILES: | C2=C(CCC=C(CNc1ccc(cc1)C2)C)C | | InChi: | InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+ | | Synonyms: | (4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene | | Definition date: | 2012-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene |
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 | | GY4 | | Name: | 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | | Formula: | C17 H16 Cl N3 O5 | | SMILES: | C3(NC(C1CCCN1C(=O)Cc2ccc(Cl)cc2)=NC(=C3O)C(O)=O)=O | | InChi: | InChI=1S/C17H16ClN3O5/c18-10-5-3-9(4-6-10)8-12(22)21-7-1-2-11(21)15-19-13(17(25)26)14(23)16(24)20-15/h3-6,11,23H,1-2,7-8H2,(H,25,26)(H,19,20,24)/t11-/m0/s1 | | Synonyms: | SRI-29775 | | Definition date: | 2017-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-03 | | Identifier: | 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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 | | GY8 | | Name: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy
rimidine-4-carboxamide | | Formula: | C24 H21 Cl2 N5 O4 | | SMILES: | c1(Cl)cncc(c1C(N5CCCC5C=4NC(C(O)=C(C(=O)NC2Cc3c(C2)cccc3)N=4)=O)=O)Cl | | InChi: | InChI=1S/C24H21Cl2N5O4/c25-15-10-27-11-16(26)18(15)24(35)31-7-3-6-17(31)21-29-19(20(32)23(34)30-21)22(33)28-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,10-11,14,17,32H,3,6-9H2,(H,28,33)(H,29,30,34)/t17-/m0/s1 | | Synonyms: | SRI-29928 | | Definition date: | 2017-06-22 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-27 | | Identifier: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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 | | GYA | | Name: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox
o-1,6-dihydropyrimidine-4-carboxamide | | Formula: | C28 H29 Cl N4 O6 S | | SMILES: | C3(=O)C(O)=C(C(=O)NC2Cc1cc(OC)c(cc1C2)OC)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O | | InChi: | InChI=1S/C28H29ClN4O6S/c1-38-20-12-15-10-17(11-16(15)13-21(20)39-2)30-27(36)24-25(35)28(37)32-26(31-24)19-7-5-9-33(19)23(34)14-40-22-8-4-3-6-18(22)29/h3-4,6,8,12-13,17,19,35H,5,7,9-11,14H2,1-2H3,(H,30,36)(H,31,32,37)/t19-/m0/s1 | | Synonyms: | SRI-30026 | | Definition date: | 2017-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-03 | | Identifier: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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 | | H4C | | Name: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | | Formula: | C17 H16 Cl N4 S | | SMILES: | Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C | | InChi: | InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1 | | Synonyms: | 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene | | Definition date: | 2013-09-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium |
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 | | H70 | | Name: | 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL | | Formula: | C10 H4 Br3 Cl2 N O | | SMILES: | Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br | | InChi: | InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H | | Synonyms: | TRIBROMODICHLOROPSEUDILIN | | Definition date: | 2010-08-10 | | Last modified: | 2020-06-17 | | Identifier: | 2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
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 | | H8D | | Name: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide | | Formula: | C20 H25 N3 O2 | | SMILES: | c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4 | | InChi: | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | | Synonyms: | methylergonovine | | Definition date: | 2018-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-29 | | Identifier: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide |
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 | | H97 | | Name: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1
0-secoestra-5,7-diene-1,3-diol | | Formula: | C31 H44 F6 O4 | | SMILES: | FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F | | InChi: | InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1 | | Synonyms: | 1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero
l (Gemini--0097) | | Definition date: | 2010-07-22 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3R,7E,17beta)-17-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol |
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 | | HBC | | Name: | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE | | Formula: | C20 H21 N O | | SMILES: | O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3 | | InChi: | InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1 | | Synonyms: | BICYCLO[2.2.1]HEPTANE | | Definition date: | 2001-08-06 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone |
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 | | 20B | | Name: | 2-(3-hydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O3 | | SMILES: | O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3 | | InChi: | InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H | | Synonyms: | 3'-hydroxyflavone | | Definition date: | 2012-10-19 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-hydroxyphenyl)-4H-chromen-4-one |
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 | | 20V | | Name: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic
acid | | Formula: | C18 H15 N4 O14 P S2 | | SMILES: | O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O | | InChi: | InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+ | | Synonyms: | PPNDS | | Definition date: | 2013-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid |
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 | | 224 | | Name: | 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE | | Formula: | C15 H17 Cl N2 O2 | | SMILES: | Clc1ccc(cc1)CCC2(OCCO2)Cn3ccnc3 | | InChi: | InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | | Synonyms: | 2-[2-(4-CHLOROPHENYL)ETHYL]-2-[(1H-IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLANE | | Definition date: | 2006-09-07 | | Last modified: | 2020-06-17 | | Identifier: | 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole |
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 | | 22U | | Name: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide | | Formula: | C21 H24 Cl N3 O2 | | SMILES: | O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1 | | Synonyms: | (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide | | Definition date: | 2007-11-07 | | Last modified: | 2020-06-17 | | Identifier: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide |
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 | | 232 | | Name: | 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE | | Formula: | C49 H56 N6 O2 | | SMILES: | O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CCN5CCC(CC5)CCCC%10CCN(CC[n+]9cc8c7c6cc(OC)ccc6nc7ccc8cc9)CC%10)C | | InChi: | InChI=1S/C49H54N6O2/c1-56-38-8-12-44-40(30-38)48-42-32-54(24-18-36(42)6-10-46(48)50-44)28-26-52-20-14-34(15-21-52)4-3-5-35-16-22-53(23-17-35)27-29-55-25-19-37-7-11-47-49(43(37)33-55)41-31-39(57-2)9-13-45(41)51-47/h6-13,18-19,24-25,30-35H,3-5,14-17,20-23,26-29H2,1-2H3/p+2 | | Synonyms: | BIS INTERCALATOR D232 | | Definition date: | 1999-10-08 | | Last modified: | 2020-06-17 | | Identifier: | 2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium) |
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 | | 233 | | Name: | [5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER | | Formula: | C14 H26 N2 O8 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)CCCCCNC(=O)OC | | InChi: | InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1 | | Synonyms: | BMSC-0013 | | Definition date: | 2002-08-13 | | Last modified: | 2020-06-17 | | Identifier: | N-{6-[(methoxycarbonyl)amino]hexanoyl}-beta-D-galactopyranosylamine |
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 | | 239 | | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | | Formula: | C19 H18 N4 O | | SMILES: | O=C(Nc1ccc(cc1)CN)c3cc2ccc(C(=[N@H])N)cc2cc3 | | InChi: | InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24) | | Synonyms: | 6-[N-(4-(AMINOMETHYL)PHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-(aminomethyl)phenyl]-6-carbamimidoylnaphthalene-2-carboxamide |
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 | | 23Y | | Name: | (2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl
beta-D-glucopyranoside | | Formula: | C34 H32 O11 | | SMILES: | O(c4cc5OC(c1ccc(O)cc1)C(c2cc(O)cc(O)c2)c5c(C=Cc3ccc(O)cc3)c4)C6OC(C(O)C(O)C6O)CO | | InChi: | InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29+,30-,31+,32-,33-,34-/m1/s1 | | Synonyms: | POLYPHENOL EPSILON-VINIFERIN GLUCOSIDE | | Definition date: | 2013-08-27 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-11 | | Identifier: | (2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside |
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 | | 24B | | Name: | (2,4-DIFLUOROPHENYL)METHANOL | | Formula: | C7 H6 F2 O | | SMILES: | Fc1cc(F)ccc1CO | | InChi: | InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 | | Synonyms: | 2,4-DIFLUOROBENZYL ALCOHOL 2,4-DIFLUORO-1-(HYDROXYMETHYL)BENZENE | | Definition date: | 2003-09-11 | | Last modified: | 2020-06-17 | | Identifier: | (2,4-difluorophenyl)methanol |
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 | | 24D | | Name: | N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide | | Formula: | C17 H18 Cl2 N4 O2 | | SMILES: | Clc1ccc(CNC(=O)N2CCC(CC2)Oc3ncccn3)c(Cl)c1 | | InChi: | InChI=1S/C17H18Cl2N4O2/c18-13-3-2-12(15(19)10-13)11-22-17(24)23-8-4-14(5-9-23)25-16-20-6-1-7-21-16/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,22,24) | | Synonyms: | 4-(Pyrimidin-2-yloxy)-piperidine-1-carboxylic acid 2,4-dichloro-benzylamide | | Definition date: | 2009-11-20 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxy-piperidine-1-carboxamide |
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