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虾青素分子式: C40H52O4 分子量: 596.84IUPAC Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-oneSMILES: CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)CInChIKey: MQZIGYBFDRPAKN-UWFIBFSHSA-NInChI: InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
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厚朴酚分子式: C18H18O2 分子量: 266.33IUPAC Name: 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenolSMILES: C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)OInChIKey: VVOAZFWZEDHOOU-UHFFFAOYSA-NInChI: InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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橄榄苦苷CAS号 : 32619-42-4 Compound CID : 5281544分子式: C25H32O13 分子量: 540.51IUPAC Name: methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylateSMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)OInChIKey: RFWGABANNQMHMZ-ZCHJGGQASA-NInChI: InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
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橙皮油素分子式: C19H22O3 分子量: 298.38IUPAC Name: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-oneSMILES: CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)CInChIKey: RSDDHGSKLOSQFK-RVDMUPIBSA-NInChI: InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
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GSK0660,PPARδ拮抗剂CAS号 : 1014691-61-2 Compound CID : 46233311分子式: C19H18N2O5S2 分子量: 418.49IUPAC Name: methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylateSMILES: COC1=C(C=CC(=C1)NC2=CC=CC=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OCInChIKey: NDFKBGWLUHKMFY-UHFFFAOYSA-NInChI: InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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泽兰林素CAS号 : 22368-21-4 Compound CID : 5273755分子式: C18H16O7 分子量: 344.32IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OCInChIKey: DRRWBCNQOKKKOL-UHFFFAOYSA-NInChI: InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
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GW 1929 盐酸盐CAS号 : 1217466-21-1 Compound CID : 56972174分子式: C30H29N3O4•HCl 分子量: 532.03IUPAC Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;hydrochlorideSMILES: CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4.ClInChIKey: KXNKIKXTGRMLEY-YCBFMBTMSA-NInChI: InChI=1S/C30H29N3O4.ClH/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23;/h2-18,27,32H,19-21H2,1H3,(H,35,36);1H/t27-;/m0./s1
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DG 172 2HCl,PPARβ/δ反向激动剂CAS号 : 1361504-77-9 Compound CID : 57342888分子式: C20H20BrN3•2HCl 分子量: 455.22IUPAC Name: (Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile;dihydrochlorideSMILES: CN1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3Br.Cl.ClInChIKey: SABUORLIDVBCPI-WTLOABTRSA-NInChI: InChI=1S/C20H20BrN3.2ClH/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21;;/h2-9,14H,10-13H2,1H3;2*1H/b17-14+;;
