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(R)-萝卜硫烷CAS号 : 142825-10-3分子式: C6H11NOS2 分子量: 177.29IUPAC Name: 1-isothiocyanato-4-[(R)-methylsulfinyl]butaneSMILES: CS(=O)CCCCN=C=SInChIKey: SUVMJBTUFCVSAD-SNVBAGLBSA-NInChI: InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1
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Avibactam free acidCAS号 : 1192500-31-4 Compound CID : 9835049分子式: C7H11N3O6S 分子量: 265.24IUPAC Name: [(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfateSMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NInChIKey: NDCUAPJVLWFHHB-UHNVWZDZSA-NInChI: InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
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只作为测试产品中文页面-(易制毒)CAS号 : CAS1111111-111-1 Compound CID : 887分子式: Code Formula 分子量: Molecular Weight英文页面1IUPAC Name: IUPAC Name英文页面1SMILES: Canonical SMILES英文页面1InChIKey: InChi Key英文页面1InChI: INCHI英文页面1
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戊曲酯CAS号 : 18296-44-1分子式: C22H30O8 分子量: 422.47IUPAC Name: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoateSMILES: CC(C)CC(O[C@H](OC=C1COC(C)=O)[C@@]2([H])C1=C[C@H](OC(CC(C)C)=O)[C@@]23OC3)=OInChIKey: BDIAUFOIMFAIPU-KVJIRVJXSA-NInChI: InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
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氯化松节油CAS号 : 8001-50-1分子式: C10H9Cl7 分子量: 377.35IUPAC Name: (1S,4R)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptaneSMILES: CC1(C(=C)[C@@]2(C([C@]1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)CInChIKey: HBQPGVWPSQGTJK-TWELXNIESA-NInChI: InChI=1S/C10H9Cl7/c1-4-6(2,3)8(13)5(11)7(4,12)9(14,15)10(8,16)17/h5H,1H2,2-3H3/t5?,7-,8-/m0/s1
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Resolvin D1CAS号 : 872993-05-0 Compound CID : 53394122分子式: C22H32O5 分子量: 376.5IUPAC Name: 7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acidSMILES: CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)OInChIKey: OIWTWACQMDFHJG-UHFFFAOYSA-NInChI: InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)
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辅酶Q2分子式: C19H26O4 分子量: 318.41IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dioneSMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CInChIKey: SQQWBSBBCSFQGC-JLHYYAGUSA-NInChI: InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
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(±)17-HDHACAS号 : 90780-52-2 Compound CID : 6439179分子式: C22H32O3 分子量: 344.49IUPAC Name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acidSMILES: CCC=CCC(C=CC=CCC=CCC=CCC=CCCC(=O)O)OInChIKey: SWTYBBUBEPPYCX-VIIQGJSXSA-NInChI: InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
