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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	Methyl octadec-16-enoate - CC=CCCCCCCCCCCCCCCC(=O)OC	C₁₉H₃₆O₂	296.5
-	(3S)-1'-(3-bromobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one - CN1C2=CC=CC=C2[C@@]3(C1=O)CCN(C3)C(=O)C4=CC(=CC=C4)Br	C₁₉H₁₇BRN₂O₂	385.3
-	(1R,4S,8R,12S)-10,13,13-trimethyltetracyclo[9.2.1.04,12.08,12]tetradeca-6,10-dien-9-one - CC1=C2C[C@H]3CC[C@@H]4[C@@]2(C3(C)C)[C@H](C1=O)C=CC4	C₁₇H₂₂O	242.36
-	(5S,6aR)-1-chloro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid - C[C@H]1C[C@@H]2C3=C(C(=CC=C3)C(=O)O)C(=O)N2C4=C1C=CC=C4Cl	C₁₈H₁₄ClNO₃	327.8
-	(3S,3aS,6aS)-1-methyl-5-(5-methyl-1,2-oxazole-3-carbonyl)-3-(2-methylpyrimidin-4-yl)oxy-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one - CC1=CC(=NO1)C(=O)N2C[C@H]3[C@@H](C2)N(C(=O)[C@H]3OC4=NC(=NC=C4)C)C	C₁₇H₁₉N₅O₄	357.4
-	(2S,3R,4S,5R,6R)-6-[[(3S,4aS,6aS,6bR,8aS,12aR,14aR,14bS)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid - C[C@@]12CC[C@@H](C([C@H]1CC[C@]3([C@@H]2CC=C4[C@@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@@H]([C@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O)O)O)O	C₄₇H₇₄O₁₈	927.1
29525-00-6	2,3-Dichloro-1,4-dihydroxyanthracene-9,10-dione - C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3O)Cl)Cl)O	C₁₄H₆Cl₂O₄	309.1
-	5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C(=C5O4)CC=C(C)C)O)O)O)O)O)O)O)O	C₃₂H₃₈O₁₄	646.6
10236-58-5	Selenocysteine - C([C@@H](C(=O)O)N)[Se]	C₃H₆NO₂SE	167.06
-	(4S,5aR,5bR,7aS,11aS,11bR,13S,13aR)-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-4,13-diol - C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2C[C@@H]([C@]4([C@@H]3C[C@@H](C5=C4OC=C5)O)C)O)C)(C)C	C₂₅H₃₈O₃	386.6