小分子和化合物库
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2,6-二叔丁基对甲酚(BHT)CAS号: 128-37-0分子式: C15H24O 分子量: 220.35IUPAC Name: 2,6-ditert-butyl-4-methylphenolSMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)CInChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-NInChI: 1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
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L-缬氨酸-¹³C5,¹⁵NCAS号: 202407-30-5分子式: 13C5H1115NO2 分子量: 123.1IUPAC Name: (2R)-2-(15N)azanyl-3-(113C)methyl(1,2,3,4-13C4)butanoic acidSMILES: CC(C)C(C(=O)O)NInChIKey: KZSNJWFQEVHDMF-WAPLMMNXSA-NInChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+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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