小分子和化合物库
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                        芸苔素唑CAS号: 224047-41-0分子式: C18H18ClN3O 分子量: 327.81IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-olSMILES: CC(C1=CC=CC=C1)(C(CC2=CC=C(C=C2)Cl)N3C=NC=N3)OInChIKey: YULDTPKHZNKFEY-UHFFFAOYSA-NInChI: 1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
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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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                        D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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                        L-精氨酸-¹⁵N₄盐酸盐CAS号: 204633-95-4分子式: C6H1415N4O2·HCl 分子量: 214.64IUPAC Name: (2S)-2-(15N)azanyl-5-[bis(15N)(azanyl)methylideneamino]pentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN=C(N)N.ClInChIKey: KWTQSFXGGICVPE-JYJSWXFRSA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i7+1,8+1,9+1,10+1;
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