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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1-benzyl-3-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea - CC1=C(C(=NN1CCC#N)C)[C@H]2C[C@@H](C=C2)NC(=O)NCC3=CC=CC=C3	C₂₁H₂₅N₅O	363.5
-	[(3aR,4S,5R,6aR,7R,9aR,9bR)-4,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-5-yl] (E)-2-(acetyloxymethyl)but-2-enoate - C/C=C(\COC(=O)C)/C(=O)O[C@H]1[C@H]([C@@H]2[C@@H]([C@@H]3[C@H](C1=C)[C@@H](C=C3C)O)OC(=O)C2=C)O	C₂₂H₂₆O₈	418.4
-	(3S,6R,7aS)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2H-1-benzofuran-3-ol - CC1(C=C2[C@H](C[C@H]1Br)OC[C@H]2O)C	C₁₀H₁₅BRO₂	247.13
-	(1R,2S,3S,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,2-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid - C1C[C@@]([C@H]([C@H]([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)(C(=O)O)OC(=O)/C=C/C5=CC=C(C=C5)O	C₄₃H₃₆O₁₆	808.7
-	(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol - C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=C(C(=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O	C₃₆H₃₆O₁₇	740.7
58692-70-9	methyl (3R)-3-hydroxy-3-phenylpropanoate - COC(=O)C[C@H](C1=CC=CC=C1)O	C₁₀H₁₂O₃	180.20
-	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8R,9R,10R,11R,13R,14S,17R)-17-[(2R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol - C[C@H](CC[C@@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]3CC[C@@]4([C@@]3(C[C@H]([C@@]5([C@@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C)O)C)C	C₅₄H₉₂O₂₄	1125.3
-	6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one - COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O	C₂₈H₃₂O₁₆	624.5
-	[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(6-methoxy-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C=C4C=CC(=O)OC4=C3)OC)CO)O)O)O)O)OC(=O)C	C₂₄H₃₀O₁₄	542.5
-	(2S)-3-acetyl-4-hydroxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one - CC(C)C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCOC)O)C(=O)C	C₁₈H₂₃NO₄	317.4