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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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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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2-萘酚-1,3,4,5,6,7,8-d₇CAS号: 78832-54-9分子式: C10D7HO 分子量: 151.21IUPAC Name: 1,3,4,5,6,7,8-heptadeuterionaphthalen-2-olSMILES: C1=CC=C2C=C(C=CC2=C1)OInChIKey: JWAZRIHNYRIHIV-GSNKEKJESA-NInChI: 1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/i1D,2D,3D,4D,5D,6D,7D
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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
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L-色氨酸-(吲哚-d₅)CAS号: 62595-11-3分子式: C11D5H7N2O2 分子量: 209.26IUPAC Name: (2S)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-HLTLGYGQSA-NInChI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D
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