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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S)-1-[(2R)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid - CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)O)N(C)C(=O)[C@H](CC2=CC=CC=C2)O	C₂₀H₂₈N₂O₅	376.4
-	Ethyl alpha-d-glucopyranoside - CCO[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O	C₈H₁₆O₆	208.21
-	N-[(E,2S,3R)-3-hydroxy-16-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]docosanamide - CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCC(C)CC)O	C₄₇H₉₁NO₈	798.2
105305-54-2	(1S,7aR,21Z,28aS,28bR)-1,2,3,5,6,7a,8,9,10,11,12,13,17,18,19,20,23,24,25,26,27,28,28a,28b-Tetracosahydro-15H-16,1,14-[1,2]propanediyl[3]ylidene-7H,14H-azacyclotetracosino[10,11,12-ij]quinolizin-7-one - C1CCC[C@H]2[C@H]3CCN4[C@H]2[C@@H](CCCCCCC5=CC3CN(C5)CCCC/C=C\CC1)C(=O)CC4	C₃₂H₅₂N₂O	480.8
-	(4S,4aS,5R,8aS)-4-(furan-2-yl)-3,5,8-trimethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione - C[C@@H]1[C@H]2[C@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC=CO3	C₁₃H₁₈N₄O₃	278.31
-	[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-naphthalen-1-ylacetate - C[N@+]12CCCC[C@H]1[C@H](CCC2)COC(=O)CC3=CC=CC4=CC=CC=C43	C₂₃H₃₀NO₂+	352.5
-	N-[2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]propanamide - CCC(=O)N(CC[C@]1(CCOC(C1)(C)C)CC2=CC=CC=C2)CC3=CC=C(C=C3)OC	C₂₇H₃₇NO₃	423.6
-	[(1S,2R,3R,6R,7S)-3,6-dimethyl-9-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl] thiocyanate - CC(C)C1C[C@H]2[C@@]3(CC[C@]2([C@@H]([C@H]1C3)SC#N)C)C	C₁₆H₂₅NS	263.4
-	(2S)-N-(furan-2-ylmethyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide - C1CC(=O)N([C@@H]1C(=O)NCC2=CC=CO2)[C@@H]3C4=CC=CC=C4C(=O)O3	C₁₈H₁₆N₂O₅	340.3
-	3-[(3aR,5aR,6R,7R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]propanoic acid - C[C@]12CCC[C@H]1[C@@H]3CC[C@@H]([C@@]([C@@H]3CC2)(C)CCC(=O)O)CCC(=O)O	C₂₁H₃₄O₄	350.5