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小分子和化合物库
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富马酸-2,3-d₂CAS号: 24461-32-3分子式: C4H2D2O4 分子量: 118.08IUPAC Name: (E)-2,3-dideuteriobut-2-enedioic acidSMILES: C(=CC(=O)O)C(=O)OInChIKey: VZCYOOQTPOCHFL-FBBQFRKLSA-NInChI: 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1D,2D
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对苯二甲酸-2,3,5,6-d₄酸CAS号: 60088-54-2分子式: C6D4(COOH)2 分子量: 170.16IUPAC Name: 2,3,5,6-tetradeuterioterephthalic acidSMILES: [2H]c1c([2H])c(c([2H])c([2H])c1C(O)=O)C(O)=OInChIKey: KKEYFWRCBNTPAC-RHQRLBAQSA-NInChI: 1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i1D,2D,3D,4D
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月桂酸-d₂₃酸CAS号: 59154-43-7分子式: C12HD23O2 分子量: 223.46IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acidSMILES: CCCCCCCCCCCC(=O)OInChIKey: POULHZVOKOAJMA-SJTGVFOPSA-NInChI: 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
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烟酸-(环-d₄)CAS号: 66148-15-0分子式: C6D4HNO2 分子量: 127.13IUPAC Name: 2,4,5,6-tetradeuteriopyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-RHQRLBAQSA-NInChI: 1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
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琥珀酸-2,2,3,3-d₄CAS号: 14493-42-6分子式: C4H2D4O4 分子量: 122.113IUPAC Name: 2,2,3,3-tetradeuteriobutanedioic acidSMILES: C(CC(=O)O)C(=O)OInChIKey: KDYFGRWQOYBRFD-LNLMKGTHSA-NInChI: 1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1D2,2D2
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甘氨酸-2,2-d₂CAS号: 4896-75-7分子式: H2NCD2CO2H 分子量: 77.08IUPAC Name: 2-amino-2,2-dideuterioacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-DICFDUPASA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1D2
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甘油-1,1,2,3,3-d₅CAS号: 62502-71-0分子式: (HOCD2)2CDOH 分子量: 97.12IUPAC Name: 1,1,2,3,3-pentadeuteriopropane-1,2,3-triolSMILES: [2H]C([2H])(O)C([2H])(O)C([2H])([2H])OInChIKey: PEDCQBHIVMGVHV-UXXIZXEISA-NInChI: 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D2,2D2,3D
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皮质醇l-9,11,12,12-d₄CAS号: 73565-87-4分子式: C21H26D4O5 分子量: 366.48IUPAC Name: (8S,10R,11S,13S)-9,11,12,12-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneSMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)OInChIKey: JYGXADMDTFJGBT-LTVXCZLVSA-NInChI: 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15?,16-,18?,19-,20-,21?/m0/s1/i10D2,16D,18D
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顺式-4,7,10,13,16,19-二十二碳六烯酸-21,21,22,22,22-d₅CAS号: 1197205-71-2分子式: C22H27D5O2 分子量: 333.52IUPAC Name: 21,21,22,22,22-pentadeuteriodocosa-4,7,10,13,16,19-hexaenoic acidSMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OInChIKey: MBMBGCFOFBJSGT-ZBJDZAJPSA-NInChI: 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/i1D3,2D2
