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小分子和化合物库
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N-(3-羟基辛酰基)-DL-高丝氨酸内酯CAS号: 853799-77-6分子式: C12H21NO4 分子量: 243.302IUPAC Name: 3-hydroxy-N-(2-oxooxolan-3-yl)octanamideSMILES: CCCCCC(CC(=O)NC1CCOC1=O)OInChIKey: XCZVBYOXRSFQBH-UHFFFAOYSA-NInChI: 1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)
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D-葡萄糖-6-¹³CCAS号: 106032-62-6分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(613C)hexanalSMILES: O[13CH2][C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=OInChIKey: GZCGUPFRVQAUEE-HYISWWFJSA-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/i2+1
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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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