小分子和化合物库
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Rac Equol-d4,(非对映异构体的混合物)CAS号: 1216469-13-4分子式: C15H10D4O3 分子量: 246.29IUPAC Name: 2,3,4,4-tetradeuterio-3-(4-hydroxyphenyl)-2H-chromen-7-olSMILES: C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OInChIKey: ADFCQWZHKCXPAJ-YHBSYLJLSA-NInChI: 1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/i7D2,9D,12D
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异丙醇铜(II)CAS号: 23578-23-6分子式: C6H14CuO2 分子量: 181.72IUPAC Name: copper;propan-2-olateSMILES: CC(C)[O-].CC(C)[O-].[Cu+2]InChIKey: VNGORJHUDAPOQZ-UHFFFAOYSA-NInChI: 1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
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4-羟基-TEMPO-d₁₇CAS号: 100326-46-3分子式: C9H18NO2 分子量: 189.35SMILES: CC1(CC(CC(N1[O])(C)C)O)CInChIKey: UZFMOKQJFYMBGY-DEMDKEALSA-NInChI: 1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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