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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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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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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L-丙氨酸-¹³C₃,¹⁵NCAS号: 202407-38-3分子式: 13CH313CH(15NH2)13CO2H 分子量: 93.06IUPAC Name: (2S)-2-(15N)azanyl(1,2,3-13C3)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-UVYXLFMMSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1,4+1
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