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D -葡萄糖-1-¹³CCAS号 : 40762-22-9 Compound CID : 12285878分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-USBRANDWSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
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恩诺沙星-D5CAS号 : 1173021-92-5 Compound CID : 46781453分子式: C19H17D5FN3O3 分子量: 364.43IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]quinoline-3-carboxylic acidSMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)FInChIKey: SPFYMRJSYKOXGV-ZBJDZAJPSA-NInChI: InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)/i1D3,2D2
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棕榈酸-1-（¹³C）CAS号 : 57677-53-9 Compound CID : 9881577分子式: (13C)C15H32O2 分子量: 257.42IUPAC Name: (113C)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-NInChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
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1-十二烷醇-1-¹³CCAS号 : 88170-32-5分子式: CH3(CH2)1013CH2OH 分子量: 187.33IUPAC Name: (113C)dodecan-1-olSMILES: CCCCCCCCCCCCOInChIKey: LQZZUXJYWNFBMV-HNHCFKFXSA-NInChI: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i12+1
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2-酮基-3-甲基丁酸-¹³C₅钠盐CAS号 : 1173018-24-0 Compound CID : 45052185分子式: 13CH313CH(13CH3)13CO13CO2Na 分子量: 143.06IUPAC Name: sodium;3-(113C)methyl-2-oxo(1,2,3,4-13C4)butanoateSMILES: CC(C)C(=O)C(=O)[O-].[Na+]InChIKey: WIQBZDCJCRFGKA-JFGXUQBHSA-MInChI: InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1;
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4-羟基苯甲醛-α-¹³CCAS号 : 152404-52-9 Compound CID : 16213280分子式: HOC6H413CHO 分子量: 123.11IUPAC Name: 4-hydroxybenzaldehydeSMILES: C1=CC(=CC=C1C=O)OInChIKey: RGHHSNMVTDWUBI-HOSYLAQJSA-NInChI: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i5+1
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Boc-Leu-OH-1-¹³C一水合物CAS号 : 201740-80-9 Compound CID : 16213315分子式: (CH3)2CHCH2CH(NH-Boc)13CO2H·H2O 分子量: 250.3IUPAC Name: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)pentanoic acid;hydrateSMILES: CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.OInChIKey: URQQEIOTRWJXBA-GQSAWZRISA-NInChI: InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1/i9+1;
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D-Glucos胺-1-¹³C盐酸盐CAS号 : 143553-09-7 Compound CID : 71311197分子式: C6H14ClNO5 分子量: 216.62IUPAC Name: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)(213C)oxane-2,4,5-triol;hydrochlorideSMILES: C(C1C(C(C(C(O1)O)N)O)O)O.ClInChIKey: QKPLRMLTKYXDST-GVSDTCGFSA-NInChI: InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1/i6+1;
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D-甘露醇-1-¹³CCAS号 : 132202-29-0 Compound CID : 71309249分子式: 13CC5H14O6 分子量: 183.16IUPAC Name: (2R,3R,4R,5R)-(113C)hexane-1,2,3,4,5,6-hexolSMILES: C(C(C(C(C(CO)O)O)O)O)OInChIKey: FBPFZTCFMRRESA-CCCNNFAYSA-NInChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1/i1+1
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D-葡萄糖-1,2-¹³C₂CAS号 : 138079-87-5 Compound CID : 71309394分子式: 13C2C4H12O6 分子量: 182.14IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(1,2-13C2)hexanalSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-SZEFTZBMSA-NInChI: InChI=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+1,3+1
