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CAS No.	英文名/中文名/SMILES	分子式	分子量
125239-12-5	Yemuoside YM(12) Yemuoside YM（12） CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)O)COC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)O)O)O)O)O	C₅₂H₈₂O₂₁	1043.2
129145-50-2	Gancaonin L 甘草宁L CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O)C	C₂₀H₁₈O₆	354.4
134461-76-0	13H-16,6a-(Epoxymethano)-15,2,16-(methanoxymetheno)-4H,6aH-naphtho[1',2':7,8]cycloocta[1,2-b]pyrano[4,3-d]pyran-4,12,19,21(12aH)-tetrone, 1,2,4a,5,6b,12b,14,15,16a,16b-decahydro-15-hydroxy-12a,16b,17-trimethyl-, (2R,4aS,6aS,6bR,12aR,12bS,15R,16R,16aS,16bS,17S)- 4,7-二脱氢新酸浆苦素B CC12CC3C4(C56C1C(C7C=CC8=CC=CC(=O)C8(C7CCC5(C(=O)O4)O)C)(C(=O)O6)OCC2C(=O)O3)C	C₂₈H₂₈O₉	508.5
161016-50-8	Hosenkoside L 凤仙萜四醇苷L CC(CO)C1CCC2(CCC3(C(C2O)CCC4C3(CCC5C4(CCC(C5(C)COC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C)CO1	C₄₇H₈₀O₁₉	949.1
18423-69-3	Cubebin 荜澄茄素 C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5	C₂₀H₂₀O₆	356.4
2089462-18-8	6''-Malonate-complanatuside 6''-丙二酸沙苑子苷单酯 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O	C₃₁H₃₄O₁₉	710.6
33649-15-9	Tomentosin 银胶菊素山稔甲素 CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2	C₁₅H₂₀O₃	248.32
7762-76-7	2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol （-/+）四氢巴马汀红碱 COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)O	C₂₀H₂₃NO₄	341.4
83896-44-0	alpha-Glycyrrhizin 18α-甘草酸单铵盐 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C	C₄₂H₆₂O₁₆	822.9
88623-95-4	[4,5-Dihydroxy-6-(hydroxymethyl)-10-methyl-14-oxo-2,7,9,13-tetraoxapentacyclo[8.7.0.01,15.03,8.012,16]heptadecan-15-yl]methyl benzoate 芍药新苷 CC12CC3C4CC1(C4(C(=O)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(OC6O2)CO)O)O	C₂₃H₂₆O₁₀	462.4