小分子和化合物库
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                        花青素CAS号: 13306-05-3分子式: C15H11O6+ 分子量: 287.24IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triolSMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)OInChIKey: VEVZSMAEJFVWIL-UHFFFAOYSA-OInChI: 1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
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                        喹硫平-d8富马酸酯CAS号: 1185247-12-4分子式: C21H17D8N3O2S・C4H4O4 分子量: 507.63IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]-1,1,2,2-tetradeuterioethanol;(E)-but-2-enedioic acidSMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)OInChIKey: VRHJBWUIWQOFLF-SQGQDMBVSA-NInChI: 1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/i14D2,16D2;
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