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粗糠柴毒素分子式: C30H28O8 分子量: 516.55IUPAC Name: (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-oneSMILES: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)OInChIKey: DEZFNHCVIZBHBI-ZHACJKMWSA-NInChI: InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+
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PKI (5-24),PKA抑制剂CAS号 : 99534-03-9 Compound CID : 102397230分子式: C94H148N32O31.xC2HF3O2 分子量: 2222.4(free base)SMILES: [H]N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCInChIKey: AXOXZJJMUVSZQY-LGGJAOENSA-N
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氢氯噻嗪杂质CCAS号 : 402824-96-8 Compound CID : 24983689分子式: C15H16Cl2N6O8S4 分子量: 607.49IUPAC Name: 6-chloro-4-[[(6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-7-yl)sulfonylamino]methyl]-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamideSMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)NCN3CNS(=O)(=O)C4=CC(=C(C=C43)Cl)S(=O)(=O)N)ClInChIKey: ARZJHXODDVTRLY-UHFFFAOYSA-NInChI: InChI=1S/C15H16Cl2N6O8S4/c16-8-1-10-14(34(28,29)20-5-19-10)4-13(8)33(26,27)21-6-23-7-22-35(30,31)15-3-12(32(18,24)25)9(17)2-11(15)23/h1-4,19-22H,5-7H2,(H2,18,24,25)
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DCP-LACAS号 : 28399-31-7 Compound CID : 9904718分子式: C20H36O2 分子量: 308.50IUPAC Name: 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoic acidSMILES: CCCCCC1CC1CC2CC2CCCCCCCC(=O)OInChIKey: CONYTTFKIUJZOF-UHFFFAOYSA-NInChI: InChI=1S/C20H36O2/c1-2-3-7-10-16-13-18(16)15-19-14-17(19)11-8-5-4-6-9-12-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)
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SB220025CAS号 : 165806-53-1 Compound CID : 5164分子式: C18H19FN6 分子量: 338.38IUPAC Name: 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amineSMILES: C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)FInChIKey: VSPFURGQAYMVAN-UHFFFAOYSA-NInChI: InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
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Phenamil HydrateCAS号 : 2038-35-9分子式: C12H12ClN7O.xH2O 分子量: 305.72 (anhy)IUPAC Name: 3,5-diamino-6-chloro-N-(N'-phenylcarbamimidoyl)pyrazine-2-carboxamideSMILES: C1=CC=C(C=C1)N=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)NInChIKey: NIOHELZQFBGCEO-UHFFFAOYSA-NInChI: InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)
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1-硬脂酰基-2-花生四烯酰基-sn-甘油CAS号 : 65914-84-3 Compound CID : 6438587分子式: C41H72O5 分子量: 645.01IUPAC Name: [(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoateSMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CCC=CCC=CCCCCCInChIKey: NSXLMTYRMFVYNT-IUJDHQGTSA-NInChI: InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-/t39-/m0/s1
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4',6,7-三羟基异黄酮CAS号 : 17817-31-1 Compound CID : 5284649分子式: C15H10O5 分子量: 270.24IUPAC Name: 6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)OInChIKey: GYLUFQJZYAJQDI-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
