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白藜芦醇分子式: C14H12O3 分子量: 228.24IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OInChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-NInChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2-(2,6-二氯苯氨基)苯乙酸CAS号 : 15307-86-5分子式: C14H11Cl2NO2 分子量: 296.15IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)ClInChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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伊洛前列素CAS号 : 78919-13-8 Compound CID : 5311181分子式: C22H32O4 分子量: 360.49IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acidSMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)OInChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-NInChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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9,11-二脱氧基-11α,9α-亚甲基环氧前列腺素 F2αCAS号 : 56985-40-1 Compound CID : 5311493分子式: C21H34O4 分子量: 350.49IUPAC Name: (Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)OInChIKey: LQANGKSBLPMBTJ-BRSNVKEHSA-NInChI: InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
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甲氯芬那酸分子式: C14H11Cl2NO2 分子量: 296.15IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acidSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)ClInChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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BAY-985CAS号 : 2409479-29-2 Compound CID : 145925685分子式: C27H30F3N9O 分子量: 553.58IUPAC Name: 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-oneSMILES: CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CC(=NC=N4)N(C)C)N5CCN(CC5)C(=O)CC(F)(F)FInChIKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-NInChI: InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
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氟灭酸分子式: C14H10F3NO2 分子量: 281.23IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)FInChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-NInChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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