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迷迭香酸CAS号: 20283-92-5 Compound CID : 5281792分子式: C18H16O8 分子量: 360.31IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acidSMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-NInChI: 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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迷迭香酸CAS号: 20283-92-5 Compound CID : 5281792分子式: C18H16O8 分子量: 360.31IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acidSMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-NInChI: 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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恩他卡朋CAS号: 130929-57-6分子式: C14H15N3O5 分子量: 305.29IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamideSMILES: CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#NInChIKey: JRURYQJSLYLRLN-BJMVGYQFSA-NInChI: 1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
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(-)-没食子酸儿茶素没食子酸酯 (GCG)CAS号: 4233-96-9分子式: C22H18O11 分子量: 458.37IUPAC Name: [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-NQIIRXRSSA-NInChI: 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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(-)-没食子酸儿茶素没食子酸酯CAS号: 4233-96-9分子式: C22H18O11 分子量: 458.37IUPAC Name: [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-NQIIRXRSSA-NInChI: 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
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(4-羟基-3-甲氧基-5-硝基苯基)(对甲苯)甲酮CAS号: 134612-80-9分子式: C15H13NO5 分子量: 287.27IUPAC Name: (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanoneSMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]InChIKey: VCNSNEJUGBEWTA-UHFFFAOYSA-NInChI: 1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
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OR-486,COMT抑制剂CAS号: 7659-29-2分子式: C6H4N2O6 分子量: 200.11IUPAC Name: 3,5-dinitrobenzene-1,2-diolSMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]InChIKey: VDCDWNDTNSWDFJ-UHFFFAOYSA-NInChI: 1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
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奥匹卡朋CAS号: 923287-50-7分子式: C15H10Cl2N4O6 分子量: 413.17IUPAC Name: 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diolSMILES: CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]InChIKey: ASOADIZOVZTJSR-UHFFFAOYSA-NInChI: 1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
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(-)-没食子酸儿茶素没食子酸酯CAS号: 4233-96-9分子式: C22H18O11 分子量: 458.37IUPAC Name: [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-NQIIRXRSSA-NInChI: 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
