小分子和化合物库
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吡咯喹啉醌钠盐CAS号: 122628-50-6分子式: C14H4N2Na2O8 分子量: 374.17IUPAC Name: disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylateSMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]InChIKey: UFVBOGYDCJNLPM-UHFFFAOYSA-LInChI: 1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2
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醋酸烯诺孕酮分子式: C23H30O4 分子量: 370.48IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetateSMILES: CC(=O)C1(C(=C)CC2C1(CCC3C2CCC4=CC(=O)CCC34)C)OC(=O)CInChIKey: CKFBRGLGTWAVLG-GOMYTPFNSA-NInChI: 1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1
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N-乙酰基-L-α-天冬氨酰-L-α-谷氨酰-L-缬氨酰-N-(4-硝基苯基)-L-天冬氨酰胺CAS号: 189950-66-1分子式: C26H34N6O13 分子量: 638.58IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acidSMILES: CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CInChIKey: GGXRLUDNGFFUKI-ORGXJRBJSA-NInChI: See more
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N-琥珀酰亚胺基4-(对-马来酰亚胺基苯基)丁酸酯CAS号: 79886-55-8分子式: C18H16N2O6 分子量: 356.33IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N3C(=O)C=CC3=OInChIKey: PMJWDPGOWBRILU-UHFFFAOYSA-NInChI: 1S/C18H16N2O6/c21-14-8-9-15(22)19(14)13-6-4-12(5-7-13)2-1-3-18(25)26-20-16(23)10-11-17(20)24/h4-9H,1-3,10-11H2
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荭草苷CAS号: 28608-75-5分子式: C21H20O11 分子量: 448.38IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-oneSMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)OInChIKey: PLAPMLGJVGLZOV-VPRICQMDSA-NInChI: 1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
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芒柄花苷CAS号: 486-62-4分子式: C22H22O9 分子量: 430.4IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OInChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-NInChI: 1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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