小分子和化合物库
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2,3-二氢-2,2,6-三甲基苯甲醛CAS号: 116-26-7分子式: C10H14O 分子量: 150.22IUPAC Name: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehydeSMILES: CC1=C(C(CC=C1)(C)C)C=OInChIKey: SGAWOGXMMPSZPB-UHFFFAOYSA-NInChI: 1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
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水飞蓟素CAS号: 65666-07-1 Compound CID : 5213分子式: C25H22O10 分子量: 482.44IUPAC Name: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)OInChIKey: SEBFKMXJBCUCAI-UHFFFAOYSA-NInChI: 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
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ATP-γ-S,激酶底物CAS号: 93839-89-5分子式: C10H12Li4N5O12P3S 分子量: 546.98IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphateSMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)NInChIKey: DWQFDOIBOYDYKH-KWIZKVQNSA-JInChI: See more
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HeliquinomycinCAS号: 178182-49-5分子式: C33H30O17 分子量: 698.58IUPAC Name: methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylateSMILES: CC1C(C(CC(O1)OC2C3=C(C4=C(C(=C3OC25C(CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)OInChIKey: MLFZQFHGXSVTGX-VJANPNJTSA-NInChI: See more
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分支酸CAS号: 617-12-9分子式: C10H10O6 分子量: 226.18IUPAC Name: (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acidSMILES: C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)OInChIKey: WTFXTQVDAKGDEY-HTQZYQBOSA-NInChI: 1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
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