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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	Methyl 5-[1-(2,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]-4,6-dihydroxypyridine-3-carboxylate - COC1=CC(=C(C=C1)C(CC(=O)OC)C2=C(C(=CNC2=O)C(=O)OC)O)OC	C₁₉H₂₁NO₈	391.4
-	ethyl 4-[(N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-L-phenylalanyl)amino]benzoate - CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4	C₃₀H₃₂N₄O₅	528.6
-	(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-3-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pentanamide - CC[C@@H](C)[C@@H](C(=O)NC1=NNC(=N1)C(C)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C	C₃₂H₄₂N₆O₆	606.7
-	(8xi,9xi,14xi,16alpha)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one - CC(=O)[C@]12[C@]3(CCC4C(C3C[C@]1(O2)C)CC=C5[C@@]4(CCC(C5)O)C)C	C₂₂H₃₂O₃	344.5
-	4-({N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-isoleucyl}amino)butanoic acid - CC[C@@H](C)[C@@H](C(=O)NCCCC(=O)O)NC(=O)CCC1=C(C2=C(C(=C3C(=C2)C(=C(O3)C)C)C)OC1=O)C	C₂₈H₃₆N₂O₇	512.6
-	5-[4,5-Bis(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione - CN1C(=C(N=C1N=C2C(=O)N(C(=O)N2)C)CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6	C₂₄H₂₁N₅O₆	475.5
-	H-DL-Tyr-DL-Ala-DL-xiIle-DL-Val-DL-Ala-DL-Arg-DL-Pro-DL-Arg-DL-Phe-NH2 - CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N	C₅₂H₈₂N₁₆O₁₀	1091.3
-	(3aR,9E)-3a,10-dimethyl-6-methylidene-1-propan-2-yl-3,4,7,8,11,12-hexahydrocyclopenta[11]annulene-2,5-dione - C/C/1=C\CCC(=C)C(=O)C[C@@]2(CC(=O)C(=C2CC1)C(C)C)C	C₂₀H₂₈O₂	300.4
59373-32-9	Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate - CC1(CC(=O)CC(=O)C1C(=O)OC)C	C₁₀H₁₄O₄	198.22
-	methyl 3-(7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-3-(3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinolin-2-yl)propanoate - COC(=O)CC(C1=CC2=C3C(=CC=C2)CCCN3C1=O)C4=C(C=CC5=C4OC=C(C5=O)C6=CC=C(C=C6)O)O	C₃₁H₂₅NO₇	523.5