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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-7,11-dione - C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC=C4)C)C	C₂₇H₄₂O₂	398.6
-	(1S,4R,4aS,8aS)-4-isothiocyanato-7-methyl-1-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene - CC1=C[C@H]2[C@H](CC1)[C@@H](CC[C@H]2C(C)C)N=C=S	C₁₅H₂₃NS	249.4
-	[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (2S,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate - C[C@@H]([C@@](C)(C(=O)O[C@@H]1CC[C@@]2(CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)OC(=O)C)C)O)OC(=O)C	C₂₄H₃₆O₈	452.5
-	Mycothiol-bimane conjugate - CC1=C(N2C(=C(C(=O)N2C1=O)C)CSC[C@@H](C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC4[C@@H]([C@H](C([C@H]([C@H]4O)O)O)O)O)CO)O)O)NC(=O)C)C	C₂₇H₄₀N₄O₁₄S	676.7
-	1-[(5R)-12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]-3-hydroxypropan-2-one - C1CCC(CC1)C2=CC3=C(C=C2)N4CCN([C@H]5C4=C3CCC5)CC(=O)CO	C₂₃H₃₀N₂O₂	366.5
-	[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl] (4S,4aS,5R,6aR,6bS,8aS,12aR,14aR,14bR)-5-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-3-oxo-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylate - C[C@]12CCC(=O)[C@@]([C@H]1[C@@H](C[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)CO)C)C)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O	C₃₅H₅₄O₉	618.8
-	(1S,4R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one - C[C@]12CC[C@](C1(C)C)(CC2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5	C₂₃H₃₀N₂O₄	398.5
-	7-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one - CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)OC4=CC=CC=C4OC	C₂₃H₂₆N₂O₅	410.5
-	[(2R)-2-(14-methylpentadecanoyloxy)-3-(10-methylundecanoyloxy)propyl] heptadecanoate - CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C	C₄₈H₉₂O₆	765.2
-	2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]chromen-4-one - CC1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)OC)O)O)O)O)O)O	C₂₈H₃₂O₁₅	608.5