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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(4R,7S,8aS)-7-amino-4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one - COC[C@H]1CCCN1C(=O)CC[C@@H]2CNC(=O)[C@H]3N2C[C@H](C3)N	C₁₆H₂₈N₄O₃	324.42
-	[(3S,5S,8S,9R,10S,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate - C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@H]4CC[C@]5([C@H](C4)CC[C@@]6([C@@H]5C[C@H]([C@]7([C@@]6(CC[C@H]7C(=O)C)O)C)OC(=O)/C=C/C8=CC=CC=C8)O)C)C)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	C₆₃H₉₆O₂₃	1221.4
-	3-(2-chlorophenyl)-2-methyl-4-oxo-4H-chromene-5,7-diyl diacetate - CC1=C(C(=O)C2=C(O1)C=C(C=C2OC(=O)C)OC(=O)C)C3=CC=CC=C3Cl	C₂₀H₁₅ClO₆	386.8
-	(S)-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate - CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C	C₂₈H₃₀N₂O₆	490.5
-	5,7-Dihydroxy-3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one - C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	C₂₁H₂₀O₁₁	448.4
-	methyl (1R,15S,18S,19S,20R)-18-hydroxy-6-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate - COC1=CC2=C(C=C1)C3=C(N2)[C@H]4C[C@@H]5[C@H](CC[C@@H]([C@H]5C(=O)OC)O)CN4CC3	C₂₂H₂₈N₂O₄	384.5
-	TG(16:0/21:0/a-17:0)[rac] - CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC	C₅₇H₁₁₀O₆	891.5
237424-48-5	8-Methyl-4-phenyl-7-[(3-phenyl-2-propen-1-yl)oxy]-2H-1-benzopyran-2-one - CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC=CC4=CC=CC=C4	C₂₅H₂₀O₃	368.4
-	N-{[1-(L-phenylalanyl)piperidin-4-yl]carbonyl}-L-methionine - CSCC[C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)N	C₂₀H₂₉N₃O₄S	407.5
499-30-9	Gluconasturtiin - C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	C₁₅H₂₁NO₉S₂	423.5