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醛脱氢酶 (ALDH)
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黄豆苷CAS号: 552-66-9分子式: C21H20O9 分子量: 416.38IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OInChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-NInChI: 1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
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黄豆苷CAS号: 552-66-9分子式: C21H20O9 分子量: 416.38IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OInChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-NInChI: 1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
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α-NETA,胆酸酶（ChAT）抑制剂CAS号: 115066-04-1 Compound CID : 11957648分子式: C16H20INO 分子量: 369.24IUPAC Name: trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium;iodideSMILES: C[N+](C)(C)CCC(=O)C1=CC=CC2=CC=CC=C21.[I-]InChIKey: QZXMJYVXMZJOAO-UHFFFAOYSA-MInChI: 1S/C16H20NO.HI/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15;/h4-10H,11-12H2,1-3H3;1H/q+1;/p-1
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普鲁汀分子式: C16H12O5 分子量: 284.26IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-oneSMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OInChIKey: KQMVAGISDHMXJJ-UHFFFAOYSA-NInChI: 1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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NCT-501CAS号: 1802088-50-1分子式: C21H32N6O3 分子量: 416.52IUPAC Name: 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dioneSMILES: CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4CC4InChIKey: FSXIBBYWVGWQJL-UHFFFAOYSA-NInChI: 1S/C21H32N6O3/c1-14(2)7-8-27-16(22-18-17(27)20(29)24(4)21(30)23(18)3)13-25-9-11-26(12-10-25)19(28)15-5-6-15/h14-15H,5-13H2,1-4H3
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NCT-505CAS号: 2231079-74-4 Compound CID : 134821685分子式: C27H28FN5O3S 分子量: 521.61IUPAC Name: 1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileSMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCC(CC4)(C#N)C5=CC=CC=C5)FInChIKey: XMNLWOQHMQRHDV-UHFFFAOYSA-NInChI: 1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3
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IGUANA-1CAS号: 2756014-25-0分子式: C27H26ClN3O4 分子量: 491.97SMILES: O=CO.COC1=CC(Cl)=CC=C1C(N2C3=NCCC2)=CN3C(C=C4)=CC=C4C5=CC=CC=C5OC
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RV01CAS号: 1016897-10-1 Compound CID : 56837609分子式: C17H13NO2 分子量: 263.29IUPAC Name: 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diolSMILES: C1=CC=C2C(=C1)C(=CC=N2)C=CC3=CC(=CC(=C3)O)OInChIKey: YRSOXYVELWTHAE-AATRIKPKSA-NInChI: 1S/C17H13NO2/c19-14-9-12(10-15(20)11-14)5-6-13-7-8-18-17-4-2-1-3-16(13)17/h1-11,19-20H/b6-5+
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Taraxerone分子式: C30H48O 分子量: 424.70IUPAC Name: (4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-oneSMILES: CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)CInChIKey: DBCAVZSSFGIHQZ-YLAYQGCQSA-NInChI: 1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1
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