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小分子和化合物库
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酞菁CAS号: 574-93-6分子式: C32H18N8 分子量: 514.55IUPAC Name: 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaeneSMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94InChIKey: IEQIEDJGQAUEQZ-UHFFFAOYSA-NInChI: 1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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L -抗坏血酸CAS号: 50-81-7 EC号: 200-066-2, 200-066-2分子式: C6H8O6 分子量: 176.12IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-oneSMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=OInChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-NInChI: 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
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L-苯丙氨酸-¹³C₉,¹⁵NCAS号: 878339-23-2分子式: 13C6H513CH213CH(15NH2)13CO2H 分子量: 175.12IUPAC Name: (2R)-2-(15N)azanyl-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(1,2,3-13C3)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-XNVLCMLSSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
