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小分子和化合物库
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花青素CAS号: 13306-05-3分子式: C15H11O6+ 分子量: 287.24IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triolSMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)OInChIKey: VEVZSMAEJFVWIL-UHFFFAOYSA-OInChI: 1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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聚氧乙烯十二烷基醚硫酸钠分子式: C12H25（CH2CH2O)nSO4NaIUPAC Name: sodium;2-dodecoxyethyl sulfateSMILES: CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+]InChIKey: ASEFUFIKYOCPIJ-UHFFFAOYSA-MInChI: 1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1
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Fmoc-Leu-OH-¹³C₆,¹⁵NCAS号: 1163133-36-5分子式: (13CH3)213CH13CH213CH(15NH-Fmoc)13CO2H 分子量: 360.36SMILES: [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH]C(=O)OCC1c2ccccc2-c3ccccc13)[13C](O)=OInChIKey: CBPJQFCAFFNICX-HNIVWWTASA-NInChI: 1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1/i1+1,2+1,11+1,13+1,19+1,20+1,22+1
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
