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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(3R,5S,10S,13S,17R)-17-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;hydrochloride - C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@H]4N)C)O.Cl	C₁₉H₃₄ClNO	327.9
182624-54-0	17a-Estradiol 17-Valerate - CCCCC(=O)OC1CCC2[C@@]1(CCC3C2CCC4=C3C=CC(=C4)O)C	C₂₃H₃₂O₃	356.5
-	N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(1,3-benzodioxol-5-yl)-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]p - C[C@@H]1CC(=O)C(=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)O)C(CC(=O)N[C@@H](CCSC)C4=NC5=CC=CC=C5N4)C6=CC7=C(C=C6)OCO7	C₃₇H₃₆ClN₃O₉S	734.2
-	ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate - CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C(=O)OCC)C	C₂₂H₂₃NO₄	365.4
-	9-hydroxy-4-(piperidin-1-ylacetyl)-1,2,3,4-tetrahydro-5H-chromeno[3,4-b]pyridin-5-one - C1CCN(CC1)CC(=O)N2CCCC3=C2C(=O)OC4=C3C=C(C=C4)O	C₁₉H₂₂N₂O₄	342.4
-	[2-oxo-2-(4-phenylphenyl)ethyl] N'-phenylcarbamimidothioate - C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC(=NC3=CC=CC=C3)N	C₂₁H₁₈N₂OS	346.4
-	3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one - C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H](O[C@H]2OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)CO)O)O)O)O)O	C₃₃H₄₀O₂₀	756.7
-	(3R,3aS,4R,5S,6aS)-4-(hydroxymethyl)-5-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one - C[C@H]1C[C@H]2[C@@H]([C@@H]1CO)[C@@H](C(=O)O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	C₁₆H₂₆O₉	362.37
-	Iturin A-7 - CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N	C₅₀H₇₈N₁₂O₁₄	1071.2
-	(3S,7S,10E,14E,18S,22S)-2,3,7,10,15,18,22,23-octamethyl-6,19-dimethylidenetetracosa-1,10,14,23-tetraene - C[C@H](C(=C)C)CCC(=C)[C@H](CC/C(=C/CC/C=C(/CC[C@@H](C(=C)CC[C@@H](C(=C)C)C)C)\C)/C)C	C₃₄H₅₈	466.8