小分子和化合物库
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乙二胺四乙酸 二钠盐 二水合物分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: 1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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橙皮苷分子式: C28H34O15 分子量: 610.56IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-oneSMILES: COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-NInChI: See more
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肉豆蔻酰辅酶A锂盐CAS号: 187100-75-0 Compound CID : 118855984分子式: C35H58Li4N7O17P3S 分子量: 1001.7IUPAC Name: See moreSMILES: [Li+].[Li+].[Li+].[Li+].CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])OInChIKey: DMIGQCYHWKIMOK-RUVUOEETSA-JInChI: See more
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芥子醇分子式: HOC6H2(OCH3)2CH=CHCH2OH 分子量: 210.23IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenolSMILES: COC1=CC(=CC(=C1O)OC)C=CCOInChIKey: LZFOPEXOUVTGJS-ONEGZZNKSA-NInChI: 1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
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奥利万星二磷酸盐CAS号: 192564-14-0分子式: C86H103Cl3N10O34P2 分子量: 1989.09IUPAC Name: See moreSMILES: See moreInChIKey: PWTROOMOPLCZHB-BHYQHFGMSA-NInChI: See more
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Hyponine DCAS号: 259823-31-9 Compound CID : 44593669IUPAC Name: See moreSMILES: CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C7=CN=CC=C7)CInChIKey: BDKQPFFHSCFTQW-UWRKWEHLSA-NInChI: See more
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