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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) - CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)NC(=O)C)O)C(=O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	C₁₀₆H₁₈₂N₆O₅₅	2420.6
-	N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide - CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)N4CCC(CC4)C5=NN=C6N5C=CC=C6)OC)OC)OC	C₃₆H₄₂N₆O₆	654.8
-	(3S,3a'R,8a'S,8b'S)-2'-phenyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione - C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@]5(N2C1)C6=CC=CC=C6NC5=O	C₂₂H₁₉N₃O₃	373.4
-	3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl}-3-(3,4,5-trimethoxyphenyl)propanamid - C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=C(C(=C2C(=O)O1)O)C(CC(=O)NCC(C3=CC=C(C=C3)N(C)C)C4=CNC5=CC=CC=C54)C6=CC(=C(C(=C6)OC)OC)OC)O	C₄₈H₅₅N₃O₉	818.0
-	N-(2-(cyclohex-1-en-1-yl)ethyl)-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamide - CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC3=CCCCC3	C₂₀H₂₃NO₄	341.4
-	6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-benzimidazol-2-ylmethyl)hexanamide - CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCCCC(=O)NCC4=NC5=CC=CC=C5N4)OC)OC)OC	C₃₅H₄₁N₅O₆	627.7
-	(S)-3-benzyl-5-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)imidazolidine-2,4-dione - COC1=C(C=C2CN(CCC2=C1)C(=O)C[C@H]3C(=O)N(C(=O)N3)CC4=CC=CC=C4)OC	C₂₃H₂₅N₃O₅	423.5
-	methyl 3-(3-hydroxy-6-(morpholinomethyl)-4-oxo-4H-pyran-2-yl)-3-(2-(2-methoxy-2-oxoethoxy)phenyl)propanoate - COC(=O)CC(C1=CC=CC=C1OCC(=O)OC)C2=C(C(=O)C=C(O2)CN3CCOCC3)O	C₂₃H₂₇NO₉	461.5
-	methyl 3-(4-phenethoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate - COC(=O)CC(C1=CC=C(C=C1)OCCC2=CC=CC=C2)C3=C4C(=C(C(=C3O)O)O)C(=O)C=C(O4)C5=CC=CC=C5	C₃₃H₂₈O₈	552.6
-	1-[(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone - CC1=C(C(=NO1)C)CC(=O)N2CCCC3=C[C@H]4C[C@H]([C@@H]32)CN5[C@@H]4CCCC5	C₂₂H₃₁N₃O₂	369.5