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L-异亮氨酸-15NCAS号 : 59935-30-7 Compound CID : 10678279分子式: C6H1315NO2 分子量: 132.17IUPAC Name: (2S,3S)-2-(15N)azanyl-3-methylpentanoic acidSMILES: CCC(C)C(C(=O)O)NInChIKey: AGPKZVBTJJNPAG-NNXLWEQRSA-NInChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1
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α-L-天冬酰胺-15N 一水合物CAS号 : 204451-47-8 Compound CID : 522362分子式: C4H815NNO3· H2O 分子量: 151.13IUPAC Name: 2,4-diamino-4-oxobutanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-UHFFFAOYSA-NInChI: InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
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2-花生四烯酸甘油酯-d8CAS号 : 924894-97-3 Compound CID : 5282280分子式: C23H30D8O4 分子量: 386.6SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
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乙酰胆碱-d9氯化物CAS号 : 344298-95-9 Compound CID : 45038081分子式: C7H7D9ClNO2 分子量: 190.72IUPAC Name: 2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chlorideSMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]InChIKey: JUGOREOARAHOCO-WWMMTMLWSA-MInChI: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
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克霉唑-d5CAS号 : 1185076-41-8 Compound CID : 45038700分子式: C22H12D5ClN2 分子量: 349.87IUPAC Name: 1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-MBRJKSRSSA-NInChI: InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,3D,4D,9D,10D
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1,7-二甲基黄嘌呤-2,4,5,6-¹³C₄-1,3,9-¹⁵N₃CAS号 : 1173018-79-5分子式: C313C4H8N¹⁵N3O2 分子量: 187.12IUPAC Name: 1,7-dimethyl-3H-purine-2,6-dioneSMILES: CN1C=NC2=C1C(=O)N(C(=O)N2)CInChIKey: QUNWUDVFRNGTCO-UDYOVZSYSA-NInChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1
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1-甲基黄嘌呤-2,4,5,6-¹³C₄, 1,3,9-¹⁵N₃CAS号 : 1173018-69-3分子式: C6H6N4O2 分子量: 173.09IUPAC Name: 1-methyl-3,7-dihydropurine-2,6-dioneSMILES: CN1C(=O)C2=C(NC1=O)N=CN2InChIKey: MVOYJPOZRLFTCP-UDDVCBLJSA-NInChI: InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1
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2-甲氧基-¹³C,d₃-雌酮CAS号 : 1217460-84-8 Compound CID : 71310682分子式: C19H24O3 分子量: 301.4IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-2-(113C)methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-oneSMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)OInChIKey: WHEUWNKSCXYKBU-IQEHBMMRSA-NInChI: InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1