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3-(环己胺)-1-丙磺酸(CAPS)分子式: C9H19NO3S 分子量: 221.32IUPAC Name: 3-(cyclohexylamino)propane-1-sulfonic acidSMILES: C1CCC(CC1)NCCCS(=O)(=O)OInChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-NInChI: InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
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对甲苯亚磺酸钠四水合物CAS号 : 868858-48-4 Compound CID : 23690860分子式: C7H7NaO2S·4H2O 分子量: 250.24IUPAC Name: sodium;4-methylbenzenesulfinate;tetrahydrateSMILES: CC1=CC=C(C=C1)S(=O)[O-].O.O.O.O.[Na+]InChIKey: MLPRYQZBDONMGJ-UHFFFAOYSA-MInChI: InChI=1S/C7H8O2S.Na.4H2O/c1-6-2-4-7(5-3-6)10(8)9;;;;;/h2-5H,1H3,(H,8,9);;4*1H2/q;+1;;;;/p-1
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1L-表-2-肌糖CAS号 : 33471-33-9 Compound CID : 9877530分子式: C6H10O6 分子量: 178.14IUPAC Name: (2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexan-1-oneSMILES: C1(C(C(C(=O)C(C1O)O)O)O)OInChIKey: VYEGBDHSGHXOGT-SHRIJZPSSA-NInChI: InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3-,4-,5+/m0/s1
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S-(2-羧乙基)-L-半胱氨酸分子式: C6H11NO4S 分子量: 193.22IUPAC Name: (2R)-2-amino-3-(2-carboxyethylsulfanyl)propanoic acidSMILES: C(CSCC(C(=O)O)N)C(=O)OInChIKey: FBPINGSGHKXIQA-BYPYZUCNSA-NInChI: InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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葡萄糖酸铁（II）CAS号 : 699014-53-4 Compound CID : 22836455分子式: C₁₂H₂₂FeO₁₄ 分子量: 446.14IUPAC Name: iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;hydrateSMILES: C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O.O.[Fe]InChIKey: HLBWMQJLOGMNBR-XRDLMGPZSA-NInChI: InChI=1S/2C6H12O7.Fe.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/t2*2-,3-,4+,5-;;/m11../s1
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1-甲基-1H-吡咯-2-硼酸频哪醇酯CAS号 : 850567-47-4 Compound CID : 44118773分子式: C11H18BNO2 分子量: 207.08IUPAC Name: 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrroleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2CInChIKey: OEQQEXKRORJZPR-UHFFFAOYSA-NInChI: InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
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2-溴-4-氯-6-硝基苯酚CAS号 : 15969-10-5 Compound CID : 291871分子式: C6H3BrClNO3 分子量: 252.45IUPAC Name: 2-bromo-4-chloro-6-nitrophenolSMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)ClInChIKey: POBOBTAMSJHELX-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrClNO3/c7-4-1-3(8)2-5(6(4)10)9(11)12/h1-2,10H
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1,2-二油酰基-sn-甘油-3-磷酸乙醇胺-N-(生物素)(钠盐)CAS号 : 384835-53-4 Compound CID : 156593867分子式: C51H92N3NaO10PS 分子量: 993.3SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]InChIKey: BQZBJHZLJJOUSL-AOAFAMOJSA-NInChI: InChI=1S/C51H92N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-48(56)61-41-44(64-49(57)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-63-65(59,60)62-40-39-52-47(55)36-34-33-35-46-50-45(43-66-46)53-51(58)54-50;/h17-20,44-46,50H,3-16,21-43H2,1-2H3,(H,52,55)(H,59,60)(H2,53,54,58);/b19-17-,20-18-;/t44-,45+,46+,50+;/m1./s1
