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表观遗传学
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链黑霉素分子式: C25H22N4O8 分子量: 506.46IUPAC Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acidSMILES: CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)OInChIKey: PVYJZLYGTZKPJE-UHFFFAOYSA-NInChI: 1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
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普罗地芬 盐酸盐分子式: C23H31NO2 · HCl 分子量: 389.96IUPAC Name: 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochlorideSMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.ClInChIKey: FHIKZROVIDCMJA-UHFFFAOYSA-NInChI: 1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
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薯蓣皂素分子式: C27H42O3 分子量: 414.62IUPAC Name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1InChIKey: WQLVFSAGQJTQCK-VKROHFNGSA-NInChI: 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
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薯蓣皂素分子式: C27H42O3 分子量: 414.62IUPAC Name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1InChIKey: WQLVFSAGQJTQCK-VKROHFNGSA-NInChI: 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
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顺式-5,8,11,14,17-二十碳五烯酸(EPA)CAS号: 10417-94-4分子式: C20H30O2 分子量: 302.45IUPAC Name: (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acidSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OInChIKey: JAZBEHYOTPTENJ-JLNKQSITSA-NInChI: 1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
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10-姜酚CAS号: 23513-15-7分子式: C21H34O4 分子量: 350.49IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-oneSMILES: CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OInChIKey: AIULWNKTYPZYAN-SFHVURJKSA-NInChI: 1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
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Givinostat hydrochloride monohydrateCAS号: 732302-99-7分子式: C24H27N3O4·HCl·H2O 分子量: 475.97IUPAC Name: [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate;hydrate;hydrochlorideSMILES: CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO.O.ClInChIKey: FKGKZBBDJSKCIS-UHFFFAOYSA-NInChI: 1S/C24H27N3O4.ClH.H2O/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30;;/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28);1H;1H2
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2-己基-4-戊炔酸CAS号: 96017-59-3分子式: C11H18O2 分子量: 182.26IUPAC Name: 2-prop-2-ynyloctanoic acidSMILES: CCCCCCC(CC#C)C(=O)OInChIKey: DUQSBRQHALCSLC-UHFFFAOYSA-NInChI: 1S/C11H18O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h2,10H,3,5-9H2,1H3,(H,12,13)
