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三油酸甘油酯CAS号 : 122-32-7分子式: C57H104O6 分子量: 885.44IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: PHYFQTYBJUILEZ-IUPFWZBJSA-NInChI: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
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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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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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头孢磺吡苄钠盐 水合物CAS号 : 1426397-23-0 Compound CID : 134128779分子式: C₂₂H₁₉N₄NaO₈S₂•xH₂O 分子量: 554.52IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrateSMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.O.[Na+]InChIKey: XTRRFIYXAPRYES-NLFZDHTNSA-MInChI: InChI=1S/C22H20N4O8S2.Na.H2O/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);;1H2/q;+1;/p-1/t15-,17-,21-;;/m1../s1
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L-丙氨酸-3,3,3-d₃CAS号 : 63546-27-0 Compound CID : 12205391分子式: C3H4D3NO2 分子量: 92.11IUPAC Name: (2S)-2-amino-3,3,3-trideuteriopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-VGCLAIIRSA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3
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L-亮氨酸-5,5,5-d₃CAS号 : 87828-86-2 Compound CID : 11073472分子式: CH3CH(CD3)CH2CH(NH2)CO2H 分子量: 134.19IUPAC Name: (2S)-2-amino-5,5,5-trideuterio-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-LONBSJBQSA-NInChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
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脱氢枞胺CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
