小分子和化合物库
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油酸-d17CAS号: 223487-44-3分子式: C18H17D17O2 分子量: 299.57IUPAC Name: (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-DUGYPAGXSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
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二岩藻糖基-对-乳-N-六糖CAS号: 64309-01-9 Compound CID : 5219625分子式: C52H88N2O39 分子量: 1365.25IUPAC Name: See moreSMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)OC4C(C(OC(C4O)OC5C(OC(C(C5OC6C(C(C(C(O6)C)O)O)O)NC(=O)C)OC7C(C(OC(C7O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)CO)O)CO)O)O)OInChIKey: BCUMESVDMXHZRL-UHFFFAOYSA-NInChI: See more
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茜素紫CAS号: 2103-64-2分子式: C20H12O7 分子量: 364.3IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)OInChIKey: PHLYOKFVXIVOJC-UHFFFAOYSA-NInChI: 1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
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