小分子和化合物库
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羧乙基锗倍半氧化物(GE 132)分子式: C6H10Ge2O7 分子量: 339.42IUPAC Name: 3-[[2-carboxyethyl(oxo)germyl]oxy-oxogermyl]propanoic acidSMILES: C(C[Ge](=O)O[Ge](=O)CCC(=O)O)C(=O)OInChIKey: XEABSBMNTNXEJM-UHFFFAOYSA-NInChI: 1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
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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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雌酮-2,4,16,16-d₄ 3-硫酸钠盐CAS号: 285979-80-8分子式: C18H22O5S 分子量: 354.5IUPAC Name: [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfateSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)OInChIKey: JKKFKPJIXZFSSB-QSPUTOQOSA-NInChI: 1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
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