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D-甘露糖-1-¹³CCAS号 : 70849-31-9 Compound CID : 12285886分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-YILIOCFTSA-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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L-脯氨酸-¹³C₅CAS号 : 201740-83-2 Compound CID : 71309553分子式: C5H9NO2 分子量: 120.09IUPAC Name: (2S)-(2,3,4,5-13C4)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-JRGPAWSWSA-NInChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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L-酪氨酸-(苯基-¹³C₆)CAS号 : 201595-63-3 Compound CID : 12144755分子式: 4-(HO)13C6H4CH2CH(NH2)CO2H 分子量: 187.14IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-HXCZJXEJSA-NInChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1
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丙酮酸（1-¹³C）CAS号 : 99124-30-8分子式: CH3CO13CO2H 分子量: 89.05IUPAC Name: 2-oxo(113C)propanoic acidSMILES: CC(=O)[13C](O)=OInChIKey: LCTONWCANYUPML-LBPDFUHNSA-NInChI: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i3+1
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棕榈酸-1,2,3,4-¹³C₄CAS号 : 287100-89-4 Compound CID : 16213444分子式: CH3(CH2)11(13CH2)313CO2H 分子量: 260.39IUPAC Name: (1,2,3,4-13C4)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-FIZPRHLTSA-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)/i13+1,14+1,15+1,16+1
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雌酮-2,4,16,16-d₄ 3-硫酸钠盐CAS号 : 285979-80-8 Compound CID : 71311485分子式: C18H22O5S 分子量: 354.5IUPAC Name: [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfateSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)OInChIKey: JKKFKPJIXZFSSB-QSPUTOQOSA-NInChI: InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
