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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S,3R,4S,5S,6R)-2-[[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]methyl]-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(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O[C@@]1(CC[C@@H](C)COC[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O	C₄₆H₇₈O₁₉	935.1
-	2-Methyl-8,10,20,22-tetraoxa-2-azapentacyclo[15.7.0.05,13.07,11.019,23]tetracosa-1(24),5,7(11),12,17,19(23)-hexaen-14-one - CN1CCC2=CC3=C(C=C2C(=O)CCC4=CC5=C(C=C41)OCO5)OCO3	C₂₀H₁₉NO₅	353.4
74183-54-3	Norelgestromin, (Z)- - CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N\O)/CC[C@H]34	C₂₁H₂₉NO₂	327.5
-	Chlortetracycline calcium - C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)[O-])O)[O-])C(=O)N)N(C)C)O.[Ca+2]	C₂₂H₂₁CAClN₂O₈	516.9
-	(11R,13S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one - CC#C[C@@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O	C₂₈H₃₀O₄	430.5
80621-81-4	[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate - C[C@H]1/C=C/C=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C	C₄₃H₅₁N₃O₁₁	785.9
-	(E,6S)-6-[(3R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid - C[C@@H](CC/C=C(\C)/C(=O)O)[C@@H]1CC[C@]2([C@]1(CCC3C2=CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)C	C₃₀H₄₈O₃	456.7
-	(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol - C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@@H]([C@](O3)(OC5=C4C(=CC6=C5[C@@H]7[C@H]([C@](O6)(OC8=CC(=CC(=C78)O)O)C9=CC=C(C=C9)O)O)O)C1=CC=C(C=C1)O)O)O)C1=CC=C(C=C1)O)O	C₄₅H₃₄O₁₅	814.7
-	(4R,4aS,6aS,6aS,6bR,8aS,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one - C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C	C₃₀H₅₀O	426.7
478-06-8	Munjistin - C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C(=O)O)O	C₁₅H₈O₆	284.22