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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	ethyl (4R,4aR,8aS)-2-cyano-4,4a,5,6,7,8a-hexahydropyrano[2,3-b]pyran-4-carboxylate - CCOC(=O)[C@@H]1C=C(O[C@H]2[C@@H]1CCCO2)C#N	C₁₂H₁₅NO₄	237.25
-	[(1S,2S,5S,6R)-5-acetyloxy-2-chloro-1,6-dihydroxycyclohex-3-en-1-yl]methyl benzoate - CC(=O)O[C@H]1C=C[C@@H]([C@@]([C@@H]1O)(COC(=O)C2=CC=CC=C2)O)Cl	C₁₆H₁₇ClO₆	340.75
-	cyclohexyl-[4-hydroxy-4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone - COC[C@H]1CCCN1CC2=NC(=CS2)C3(CCN(CC3)C(=O)C4CCCCC4)O	C₂₂H₃₅N₃O₃S	421.6
-	(2S,3S,4S,5R,6S)-2-[(2R,3S,4S,5R,6S)-2-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9R,12R,13R,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol - C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(CC[C@H](C6)O[C@@H]7[C@H]([C@@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)C)C)C)NC1	C₅₀H₈₃NO₂₁	1034.2
-	(3S)-3-butoxycarbonyl-5-[(E)-2-carboxy-1-hydroxyethenyl]-3,4-dihydronaphthalene-1-carboxylic acid - CCCCOC(=O)[C@H]1CC2=C(C=CC=C2/C(=C\C(=O)O)/O)C(=C1)C(=O)O	C₁₉H₂₀O₇	360.4
-	(2S)-2-[[4-[[[(2S,3R)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoic acid - CC[C@@H](C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)O)N	C₁₉H₃₅N₃O₄S	401.6
-	(R,E)-ethyl 2-(4-((1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibenzo[b,d]furan-2(3H)-ylidene)ethyl)amino)piperidin-1-yl)-4-methylthiazole-5-carboxylate - CCOC(=O)C1=C(N=C(S1)N2CCC(CC2)N/C(=C/3\C(=O)C=C4[C@](C3=O)(C5=C(C(=C(C(=C5O4)C(=O)C)O)C)O)C)/C)C	C₃₀H₃₃N₃O₈S	595.7
-	3-[(1S,3R,3aR,6aS)-7'-chloro-5'-methyl-2',4,6-trioxo-5-[(1R)-1-phenylethyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid - CC1=CC2=C(C(=C1)Cl)NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)[C@H](C)C5=CC=CC=C5	C₂₅H₂₄ClN₃O₅	481.9
-	methyl (2S,4R,5R,11S,12R)-14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate - CC(=C)[C@H]1CC2=C(C=C(O2)[C@H]([C@H]3C=C([C@H]4[C@@H]1O4)C(=O)O3)C(=C)C)C(=O)OC	C₂₁H₂₂O₆	370.4
-	Pretenellin B - CC[C@@H](C)/C=C(\C)/C=C/C(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O	C₂₁H₂₃NO₄	353.4