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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol - C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC	C₅₁H₈₆O₂₄	1083.2
-	1-[(1S,4S)-4-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-(3-cyanophenyl)urea - CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)[C@H]3C[C@@H](C=C3)NC(=O)NC4=CC=CC(=C4)C#N)C)Cl	C₂₅H₂₄ClN₅O	445.9
-	methyl (4S)-4-[(3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate - C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(C(=O)C[C@H]3[C@@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C	C₂₉H₄₄O₇	504.7
-	(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[indoline-3,3'-pyrrolidine]-2-one - C1CN[C@@H]([C@]12C3=CC=CC=C3NC2=O)C4=CC5=C(C=C4)OCCO5	C₁₉H₁₈N₂O₃	322.4
-	3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2S,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one - C[C@@H]1[C@@H](CC[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O	C₂₉H₄₄O₆	488.7
-	methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-carboxylate - COC[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]2C(=O)OC)O[C@H]([C@@H](COC)OC)[C@H]([C@H](COC)OC)OC)OC)OC)OC)OC)OC	C₃₀H₅₆O₁₇	688.8
-	(3S,4S,10R,11R,18R)-4,18-bis(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-10-(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol - C1[C@@H](C2=C(C=C(C=C2O)O)[C@H]3[C@@H](OC4=CC5=C(C1=C34)[C@@H]([C@H](O5)C6=C(C=C(C=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=C(C=C(C=C9)O)O	C₄₂H₃₂O₁₁	712.7
-	[(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate - C1=CC(=CC=C1C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O	C₅₁H₅₃O₂₇+	1097.9
-	(2S,4S)-2',10,11-trimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one - CN1CCC2=CC(=C(C3=C2[C@@H]1C[C@]34CCC(=O)C(=C4)OC)OC)OC	C₂₀H₂₅NO₄	343.4
918494-66-3	5-Bromo-3-(Pyrrolidin-1-Ylsulfonyl)-1h-Indole-2-Carboxamide - C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)N	C₁₃H₁₄BRN₃O₃S	372.24