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白蛋白 来源于鸡蛋白IUPAC Name: 3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-oneSMILES: CC(=CCC1C(O1)(C)C2(C(C(=O)CCC2(C)O)OC)O)CInChIKey: UOXVFQCRPDLSFN-UHFFFAOYSA-NInChI: InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3
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左乙拉西坦-d3CAS号 : 1217851-16-5 Compound CID : 45039653分子式: C8H11D3N2O2 分子量: 173.23IUPAC Name: (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamideSMILES: CCC(C(=O)N)N1CCCC1=OInChIKey: HPHUVLMMVZITSG-FYFSCIFKSA-NInChI: InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1/i1D3
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拉莫三嗪-¹³C₃CAS号 : 1188265-38-4 Compound CID : 45039644分子式: C613C3H7Cl2N5 分子量: 259.07IUPAC Name: 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamineSMILES: N[13c]1nn[13c]([13c](N)n1)c2cccc(Cl)c2ClInChIKey: PYZRQGJRPPTADH-ULEDQSHZSA-NInChI: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)/i7+1,8+1,9+1
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棕榈酸-d31CAS号 : 39756-30-4 Compound CID : 16212358分子式: C16D31HO2 分子量: 287.62IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-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)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
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苯乙醛酸-d5CAS号 : 1217089-53-6 Compound CID : 46782741分子式: C8HD5O3 分子量: 155.16IUPAC Name: 2-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acidSMILES: C1=CC=C(C=C1)C(=O)C(=O)OInChIKey: FAQJJMHZNSSFSM-RALIUCGRSA-NInChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)/i1D,2D,3D,4D,5D
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4-羟基雌酮-d4CAS号 : 81586-98-3 Compound CID : 71749017分子式: C18H18D4O3 分子量: 290.39IUPAC Name: (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-oneSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)OInChIKey: XQZVQQZZOVBNLU-RFZGAVBWSA-NInChI: InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2