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CAS No.	英文名/中文名/SMILES	分子式	分子量
21887-01-4	Horminone 荷茗草醌 CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O	C₂₀H₂₈O₄	332.4
7559-04-8	alpha-Tocopherolquinone 托可醌 CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C	C₂₉H₅₀O₃	446.7
143601-09-6	Curculigoside B 仙茅苷乙 COC1=CC=CC(=C1C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O	C₂₁H₂₄O₁₁	452.4
2253791-96-5	Sikokianin E - C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O)C5C(OC6=C(C5=O)C=CC(=C6O)OC7C(C(C(C(O7)CO)O)O)O)C8=CC(=C(C=C8)O)O)O)O	C₄₂H₄₂O₂₂	898.8
30382-18-4	Isocoreopsin 紫铆黄素-7-O-β-D-吡喃葡萄糖苷 C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O	C₂₁H₂₂O₁₀	434.4
925701-05-9	2-(3,4-Dihydroxyphenyl)-8-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one 3’,4’,8-三羟基黄酮-7-O-β-D-葡萄糖苷 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	C₂₁H₂₀O₁₁	448.4
197705-31-0	Bupleuroside XIII - CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C(CC5C4(CC(C6(C5=CC(CC6)(C)C)CO)O)C)O)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	C₄₂H₇₀O₁₄	799.0
219690-93-4	Saikosaponin S 柴胡皂苷S CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4C=CC6=C7CC(CCC7(C(CC65C)O)CO)(C)C)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	C₄₈H₇₈O₁₈	943.1
2319668-87-4	Tibesaikosaponin V 藏柴胡苷 CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C(C=C5C4(C(C(=O)C6(C5CC(CC6)(C)C)CO)O)C)O)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	C₄₂H₆₈O₁₅	813.0
66663-91-0	[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 远志皂苷D CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O	C₅₇H₉₂O₂₇	1209.3