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D-葡萄糖-2-¹³CCAS号 : 105931-74-6 Compound CID : 12285870分子式: C6H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(313C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-UKLRSMCWSA-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/i5+1
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卡铂CAS号 : 41575-94-4 Compound CID : 426756分子式: C6H12N2O4Pt 分子量: 371.25IUPAC Name: azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)SMILES: C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]InChIKey: VSRXQHXAPYXROS-UHFFFAOYSA-NInChI: InChI=1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2
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亚油酸-1-13CCAS号 : 98353-71-0 Compound CID : 12311286分子式: C1713CH32O2 分子量: 281.44IUPAC Name: (9Z,12Z)-(113C)octadeca-9,12-dienoic acidSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OInChIKey: OYHQOLUKZRVURQ-LKLZSCEKSA-NInChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/i18+1
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D-[UL-¹³C6]甘露醇CAS号 : 287112-34-9分子式: (13C)6H14O6 分子量: 188.13IUPAC Name: (2R,3R,4R,5R)-(1,2,3,4,5,6-13C6)hexane-1,2,3,4,5,6-hexolSMILES: C(C(C(C(C(CO)O)O)O)O)OInChIKey: FBPFZTCFMRRESA-CRWJSTOYSA-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+1,2+1,3+1,4+1,5+1,6+1
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D-葡萄糖-¹³C₆CAS号 : 110187-42-3 Compound CID : 3086538分子式: 13C6H12O6 分子量: 186.11IUPAC Name: 2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexanalSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-IDEBNGHGSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/i1+1,2+1,3+1,4+1,5+1,6+1
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L-[6-¹³C]岩藻糖CAS号 : 478518-51-3 Compound CID : 90472747分子式: 13CC5H12O5 分子量: 165.15IUPAC Name: (3S,4R,5S,6S)-6-(113C)methyloxane-2,3,4,5-tetrolSMILES: CC1C(C(C(C(O1)O)O)O)OInChIKey: SHZGCJCMOBCMKK-BUCMHYPRSA-NInChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1/i1+1
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芍药内酯苷CAS号 : 39011-90-0 Compound CID : 24868421分子式: C23H28O11 分子量: 480.46IUPAC Name: [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoateSMILES: CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: QQUHMASGPODSIW-ICECTASOSA-NInChI: InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
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10-异butyryl氧基-8,9-环氧thymol 异丁酸CAS号 : 22518-06-5分子式: C18H24O5 分子量: 320.38IUPAC Name: [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoateSMILES: CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)CInChIKey: OLARKEMZPWGFJU-UHFFFAOYSA-NInChI: InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3