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小分子和化合物库
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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-亮氨酸-¹³C₆,¹⁵NCAS号: 202406-52-8分子式: (13CH3)213CH13CH213CH(15NH2)13CO2H 分子量: 138.12IUPAC Name: (2S)-2-(15N)azanyl-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-HUEJSTCGSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
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L-脯氨酸-¹³C₅,¹⁵NCAS号: 202407-23-6分子式: C5H9NO2 分子量: 121.09IUPAC Name: (2S)-(2,3,4,5-13C4,115N)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-XAFSXMPTSA-NInChI: 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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菲律宾菌素复合体CAS号: 11078-21-0 EC号: 631-260-9, 637-175-3分子式: C35H58O11 (for Filipin III) 分子量: 654.80IUPAC Name: (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-oneSMILES: CCCCCC(C1C(CC(CC(CC(CC(CC(CC(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)OInChIKey: IMQSIXYSKPIGPD-YQRUMEKGSA-NInChI: See more
