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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	ethyl (1S,5R,7R)-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate - CCOC(=O)C1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(C)C4=CC=CC=C4)O2	C₁₉H₂₁NO₄	327.4
1115-11-3	Crotonaldehyde, 2-methyl- - CC=C(C)C=O	C₅H₈O	84.12
-	(2R)-2-amino-2-benzyl-4-phosphonobutanoic acid - C1=CC=C(C=C1)C[C@@](CCP(=O)(O)O)(C(=O)O)N	C₁₁H₁₆NO₅P	273.22
-	methyl (1S,15R,16S,17S,21S)-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate - COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@]34C5=C(CCN3C[C@@H]2O4)C6=CC=CC=C6N5)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O	C₂₇H₃₂N₂O₁₀	544.5
-	(2S)-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one - COC1=CC=CC=C1N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC	C₂₄H₂₄N₂O₅	420.5
-	4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[2-[4-[[[(1S,2S)-2-(hydroxymethyl)-1-(1H-imidazol-5-yl)cyclohexyl]methylamino]methyl]-3-pentylphenyl]ethyl]naphthalene-1,2,8-triol - CCCCCC1=C(C=CC(=C1)CCC2=C(C(=C3C(=C2/C=C/C4=CC(=C(C=C4)O)O)C=CC=C3O)O)O)CNC[C@@]5(CCCC[C@@H]5CO)C6=CN=CN6	C₄₃H₅₁N₃O₆	705.9
-	(5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol - C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC=C(C4)O)C)C	C₂₈H₄₈O	400.7
-	(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16-(5-methyl-1,2-oxazol-3-yl)-17-oxa-16-azapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol - CC1=CC(=NO1)N2[C@]34C[C@H](CC[C@@]3(C5CC[C@@]6([C@H](CC[C@H]6[C@@]5(O2)C=C4)[C@H](C)/C=C/[C@H](C)C(C)C)C)C)O	C₃₂H₄₈N₂O₃	508.7
-	(1R,4aR,4bS,7S,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde - C[C@@]1(CC[C@H]2C(=CC[C@H]3[C@@]2(CCC[C@@]3(C)C=O)C)C1)C=C	C₂₀H₃₀O	286.5
1680-36-0	Nonan-1-oic anhydride - CCCCCCCCC(=O)OC(=O)CCCCCCCC	C₁₈H₃₄O₃	298.5