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小分子和化合物库
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(-)-白花前胡乙素IUPAC Name: [(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoateSMILES: CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)CInChIKey: PNTWXEIQXBRCPS-IOWUNYDSSA-NInChI: 1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m1/s1
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H-4-（7-羟基-4-香豆素基）-Abu-OHCAS号: 905442-42-4 Compound CID : 57523941分子式: C13H13NO5 分子量: 263.25IUPAC Name: (2S)-2-amino-4-(7-hydroxy-2-oxochromen-4-yl)butanoic acidSMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CCC(C(=O)O)NInChIKey: QEQAKQQRJFWPOR-JTQLQIEISA-NInChI: 1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
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依莰舒CAS号: 92761-26-7分子式: C28H34O8S2 分子量: 562.69SMILES: CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)CInChIKey: HEAHZSUCFKFERC-UHFFFAOYSA-NInChI: 1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)
