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小分子和化合物库
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雌三醇-d3CAS号: 79037-36-8分子式: C18H21D3O3 分子量: 291.4IUPAC Name: (8R,13S,17R)-2,4,17-trideuterio-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triolSMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OInChIKey: PROQIPRRNZUXQM-JFORYDAQSA-NInChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14-,15?,16?,17+,18+/m1/s1/i3D,8D,17D
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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L-亮氨酸-¹³C₆,¹⁵NCAS号: 202406-52-8分子式: (13CH3)213CH13CH213CH(15NH2)13CO2H 分子量: 138.12IUPAC Name: (2S)-2-(15N)azanyl-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-HUEJSTCGSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
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L-脯氨酸-¹³C₅,¹⁵NCAS号: 202407-23-6分子式: C5H9NO2 分子量: 121.09IUPAC Name: (2S)-(2,3,4,5-13C4,115N)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-XAFSXMPTSA-NInChI: 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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