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小分子和化合物库
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粉状纤维素分子式: (C6H10O5)nIUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolInChIKey: GUBGYTABKSRVRQ-WFVLMXAXSA-NInChI: 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
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蔗糖（蔗糖）分子式: C12H22O11 分子量: 342.3IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)OInChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-NInChI: 1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
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二水合柠檬酸三钠分子式: C6H5Na3O7·2H2O 分子量: 294.10IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrateSMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]InChIKey: NLJMYIDDQXHKNR-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3
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二水合柠檬酸三钠分子式: C6H5Na3O7·2H2O 分子量: 294.10IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrateSMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]InChIKey: NLJMYIDDQXHKNR-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3
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L-色氨酸分子式: C11H12N2O2 分子量: 204.23IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-NInChI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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