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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	propyl 4-({8-[(diethylamino)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate - CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(CC)CC)O)C	C₂₅H₂₉NO₆	439.5
-	[(1S,4R,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl] 4-oxo-4-[3-(2-oxopyrrolidin-1-yl)propylamino]butanoate - C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@@H]1CC[C@@](O3)(OO4)C)OC(=O)CCC(=O)NCCCN5CCCC5=O)C	C₂₆H₄₀N₂O₈	508.6
-	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-3-[(3S)-octacosan-3-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene - CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](CC)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)/C=C/[C@@H](CC)C(C)C)C)C	C₅₇H₁₀₄O	805.4
-	(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid - C[C@H]1[C@@H](OC2=C1C=C(C=C2OC)C(=O)O)C3=CC(=C(C=C3)O)OC	C₁₈H₁₈O₆	330.3
-	CID 162832742 - C[C@H]1CC=C[C@]2(C1)C[C@]3(CCC4(C3)CCCC4)C[C@@H]5[C@H]2C[C@@H]6C[C@@H]5CC7=CC(=CC(=C7)CC8=CC=CC=C8CN[C@@]9(CC[C@@H]6SSC9)C)O	C₄₅H₆₁NOS₂	696.1
-	(2S,3S,4R,5R,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol - CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O)O	C₂₆H₂₈O₆	436.5
-	[(5R,6E,8Z,10E,13S,14R,15R,16Z)-15,24-dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl] (2S)-2-(cyclohexanecarbonylamino)propanoate - C[C@H]1[C@H](C/C=C/C=C\C=C\[C@@H](CC(=O)NC2=CC(=O)C(=O)C(=C2O)CC/C=C(\[C@@H]1O)/C)OC)OC(=O)[C@H](C)NC(=O)C3CCCCC3	C₃₆H₄₈N₂O₉	652.8
-	1-[4-[(2S)-2-[3-(4-aminopyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone - CC(=O)N1CCC(CC1)N2CCC[C@H]2C3=NC(=NO3)C4=CN=CN=C4N	C₁₇H₂₃N₇O₂	357.4
-	1-Coumarylglucose-6-sulfate - C1=CC(=CC=C1/C=C/CC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)O)O)O)O)O	C₁₅H₂₀O₁₀S	392.4
16011-97-5	N,N'-Dimethylputrescine - CNCCCCNC	C₆H₁₆N₂	116.20