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CAS No.	英文名/中文名/SMILES	分子式	分子量
17754-44-8	Atractyloside 苍术苷二钾盐 CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]	C₃₀H₄₄K₂O₁₆S₂	803.0
1781226-44-5	2,6-Dihydroxyacetophenone-4-O-[4',6'-(S)-hexahydroxydiphenoyl]-beta-D-glucose 2,6-dihydroxyacetophenone-4-O-[4,6-(S)-hexahydroxydiphenoyl]-β-D-glucose CC(=O)C1=C(C=C(C=C1O)OC2C(C(C3C(O2)COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)O)O)O	C₂₈H₂₄O₁₇	632.5
18196-00-4	8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one 迈月橘素 CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O	C₁₆H₂₀O₆	308.33
1822332-33-1	10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid 鸦胆亭醇B CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)O)O)O)C)O	C₂₇H₃₄O₁₂	550.6
1846-76-0	Ethyl coumarin-3-carboxylate 香豆素-3-羧酸乙酯 CCOC(=O)C1=CC2=CC=CC=C2OC1=O	C₁₂H₁₀O₄	218.20
1879030-01-9	4'-Hydroxy-6,7,8,3'-tetramethoxyflavonol 4'-羟基-6,7,8,3‘-四甲氧基黄酮醇 COC1=C(C=CC(=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)O)O	C₁₉H₁₈O₈	374.3
189307-15-1	Neomogroside 新罗汉果苷 CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)O)C)C	C₆₆H₁₁₂O₃₄	1449.6
19037-69-5	7-Hydroxy-4-methyl-8-nitrocoumarin 7-羟基-4-甲基-8-硝基香豆素 CC1=CC(=O)OC2=C1C=CC(=C2[N+](=O)[O-])O	C₁₀H₇NO₅	221.17
190655-16-4	(+)-7-epi-Syringaresinol 4'-glucoside 表丁香脂素-4''-O-葡萄糖苷 COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)OC	C₂₈H₃₆O₁₃	580.6
19179-12-5	Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione 六氢吡咯并[1,2-A]吡嗪-1,4-二酮 C1CC2C(=O)NCC(=O)N2C1	C₇H₁₀N₂O₂	154.17