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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(3S)-2-(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide - CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)N4CC5=CC=CC=C5C[C@H]4C(=O)NC)OC)OC)OC	C₃₆H₄₂N₄O₇	642.7
-	(2R)-3-[(1S)-1-[(2R,3S,4S,5S,6R)-4-[(1R)-1,4-dihydroxybutyl]-5-[[6-(3,5-dimethylphenyl)-1H-pyrrolo[3,4-b]pyrrol-5-yl]oxy]-3,4-dihydroxy-3-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]-2-hydroxy-1-[[(2S)-2-hydroxypropyl]amino]ethoxy]-3-oxo-2-(3-oxopropylamino)propanoic acid - CC1=CC(=CC(=C1)C2=C3C(=CN2O[C@@H]4[C@H](O[C@H]([C@]([C@@]4([C@@H](CCCO)O)O)(CO)O)[C@@](CO)(NC[C@H](C)O)OC(=O)[C@@H](C(=O)O)NCCC=O)OC5=CC6=C(C=C5)C(=O)C(=CO6)C7=CC=C(C=C7)O)C=CN3)C	C₅₀H₅₈N₄O₁₈	1003.0
-	(5S)-5-(3,5-dimethyl-1-benzofuran-6-yl)-5-hydroxypentan-2-one - CC1=CC2=C(C=C1[C@H](CCC(=O)C)O)OC=C2C	C₁₅H₁₈O₃	246.30
-	3-(4-Methoxyphenyl)-7-(2-oxopropoxy)chromen-2-one - CC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)OC	C₁₉H₁₆O₅	324.3
55779-10-7	Desacetyl glutaryl 7-aminocephalosporanic acid - C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)CO	C₁₃H₁₆N₂O₇S	344.34
-	5-hydroxy-10-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)-3-phenyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione - C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)C4CC(=O)OC5=C4C6=C(C(=C5)O)C(=O)C(=CO6)C7=CC=CC=C7	C₃₀H₂₁NO₆	491.5
-	Uvaridacol G - C1=CC=C(C=C1)C(=O)OC[C@@]2(C=C[C@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)O)O)O	C₂₁H₂₀O₇	384.4
-	[(2R)-2-(16-methylheptadecanoyloxy)-3-(13-methyltetradecanoyloxy)propyl] icosanoate - CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C	C₅₆H₁₀₈O₆	877.5
-	4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid - CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)[C@H]3CCN(C3)C(=O)CCC(=O)O	C₁₇H₂₀N₂O₆S	380.4
-	(3S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol - C1[C@@H]([C@H](C(=C1O)CO)O)N2C=NC3=C(N=CN=C32)N	C₁₁H₁₃N₅O₃	263.25