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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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全顺-5,8,11,14,17-二十碳五烯酸乙酯 (含稳定剂生育酚)CAS号 : 86227-47-6 Compound CID : 9831415分子式: C22H34O2 分子量: 330.51IUPAC Name: ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCCInChIKey: SSQPWTVBQMWLSZ-AAQCHOMXSA-NInChI: InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
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NG,NG ′-二甲基-L-精氨酸 二(对羟基偶氮苯对磺酸) 盐CAS号 : 1266235-58-8 Compound CID : 72943047分子式: C9H10ClF2NO 分子量: 221.63IUPAC Name: 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochlorideSMILES: C1COC2=C(C1N)C=CC(=C2F)F.ClInChIKey: UUOXQIUITFURPF-UHFFFAOYSA-NInChI: InChI=1S/C9H9F2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
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聚肌苷酸-聚胞苷酸 钾盐CAS号 : 31852-29-6 Compound CID : 137031716分子式: (C10H13N4O8P)x.(C9H14N3O8P)x.xKSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[K]InChIKey: KHPUABRWHJGXNJ-VRQAYDGLSA-NInChI: InChI=1S/C10H13N4O8P.C9H14N3O8P.K/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/t4-,6-,7-,10-;4-,6-,7-,8-;/m11./s1
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聚肌苷酸-聚胞苷酸 钠盐CAS号 : 42424-50-0 Compound CID : 137229713分子式: (C10H13N4O8P)x.(C9H14N3O8P)x.xNaSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[Na]InChIKey: GETQKWBYQAUFQM-VRQAYDGLSA-NInChI: InChI=1S/C10H13N4O8P.C9H14N3O8P.Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/t4-,6-,7-,10-;4-,6-,7-,8-;/m11./s1
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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
