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1-(4-氟苄基)-2-氯苯并咪唑CAS号: 84946-20-3分子式: C14H10ClFN2 分子量: 260.69IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazoleSMILES: C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)ClInChIKey: PGXALMVNIRPELS-UHFFFAOYSA-NInChI: 1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2
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依帕司他CAS号: 82159-09-9分子式: C15H13NO3S2 分子量: 319.4IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acidSMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)OInChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-NInChI: 1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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异甘草素CAS号: 961-29-5分子式: C15H12O4 分子量: 256.25IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneSMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OInChIKey: DXDRHHKMWQZJHT-FPYGCLRLSA-NInChI: 1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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异甘草素CAS号: 961-29-5分子式: C15H12O4 分子量: 256.25IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneSMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OInChIKey: DXDRHHKMWQZJHT-FPYGCLRLSA-NInChI: 1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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金石蚕苷CAS号: 94079-81-9 Compound CID : 6442411分子式: C35H46O19 分子量: 770.73IUPAC Name: [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)OInChIKey: YMWRMAOPKNYHMZ-VMPITWQZSA-NInChI: See more
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托瑞司他CAS号: 82964-04-3 Compound CID : 53359分子式: C16H14F3NO3S 分子量: 357.35IUPAC Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acidSMILES: CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OCInChIKey: LUBHDINQXIHVLS-UHFFFAOYSA-NInChI: 1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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阿瑞司他丁CAS号: 51411-04-2分子式: C14H9NO4 分子量: 255.23IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acidSMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)OInChIKey: GCUCIFQCGJIRNT-UHFFFAOYSA-NInChI: 1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
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灵芝酸 C2CAS号: 103773-62-2分子式: C30H46O7 分子量: 518.68IUPAC Name: (2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acidSMILES: CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@]4([C@@H](O)C[C@@H]([C@]4(CC3=O)C)[C@H](C)CC(C[C@@H](C)C(O)=O)=O)C)[C@@H](O)C[C@@]12[H]InChIKey: RERVSJVGWKIGTJ-RQLZKMEDSA-NInChI: See more
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PonalrestatCAS号: 72702-95-5 Compound CID : 5278分子式: C17H12BrFN2O3 分子量: 391.2IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acidSMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)OInChIKey: LKBFFDOJUKLQNY-UHFFFAOYSA-NInChI: 1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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舒林酸砜CAS号: 59864-04-9 Compound CID : 6158261分子式: C20H17FO4S 分子量: 372.4IUPAC Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acidSMILES: CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)OInChIKey: MVGSNCBCUWPVDA-RQZCQDPDSA-NInChI: 1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
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AKR1C1-IN-1CAS号: 4906-68-7分子式: C13H9BrO3 分子量: 293.12IUPAC Name: 3-bromo-2-hydroxy-5-phenylbenzoic acidSMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)OInChIKey: XVZSXNULHSIRCQ-UHFFFAOYSA-NInChI: 1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
