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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2Z)-2-[[(3S)-3-(2-hydroxypropan-2-yl)-6-methyl-1-oxo-4,5-dihydro-3H-2-benzoxepin-9-yl]methylidene]-3-methylbutanoic acid - CC1=C2CC[C@H](OC(=O)C2=C(C=C1)/C=C(/C(C)C)\C(=O)O)C(C)(C)O	C₂₀H₂₆O₅	346.4
-	1-Benzyl-3-[5-(4-nitrophenyl)imino-4-phenyl-1,2,4-dithiazolidin-3-ylidene]urea - C1=CC=C(C=C1)CNC(=O)N=C2N(C(=NC3=CC=C(C=C3)[N+](=O)[O-])SS2)C4=CC=CC=C4	C₂₂H₁₇N₅O₃S₂	463.5
-	(1S,2R,3R)-3-(2-hydroxypropan-2-yl)-2-(5-methoxy-9H-pyrido[3,4-b]indol-1-yl)-1-methylcyclopentan-1-ol - C[C@@]1(CC[C@H]([C@@H]1C2=NC=CC3=C2NC4=C3C(=CC=C4)OC)C(C)(C)O)O	C₂₁H₂₆N₂O₃	354.4
-	4-(hydroxymethyl)-10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol - CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4CO)O)C)C)C(C)C	C₃₀H₅₀O₂	442.7
-	[(5R)-5,7-dihydroxy-2,4-dimethylideneheptyl] (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoate - C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)OCC(=C)CC(=C)[C@@H](CCO)O)O)O)C)O)O	C₅₃H₈₂O₁₅	959.2
-	(1R,4S,7R,9S,14R)-7-[(1R,2R,6S,9R,11S,13R,14S,17S,18S)-11-(furan-3-yl)-9,13-dimethyl-3-oxo-4,10,21-trioxahexacyclo[16.2.1.02,6.02,17.06,14.09,13]henicosa-15,19-dien-20-yl]-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadeca-10,12-diene-5,15-dione - C[C@@]12CC[C@@]34COC(=O)[C@]35[C@H](C=C[C@@H]4[C@]1(C[C@H](O2)C6=COC=C6)C)[C@@H]7C=C([C@H]5O7)[C@H]8C[C@]9([C@H](CC[C@]12C9=CC=C[C@H]1C(=O)OC2)C(=O)O8)C	C₄₀H₄₂O₉	666.8
-	(1R)-1-[4-[(1S)-1-hydroxy-2-quinolin-2-ylethyl]-3-nitrophenyl]-2-quinolin-2-ylethanol - C1=CC=C2C(=C1)C=CC(=N2)C[C@H](C3=CC(=C(C=C3)[C@H](CC4=NC5=CC=CC=C5C=C4)O)[N+](=O)[O-])O	C₂₈H₂₃N₃O₄	465.5
-	(1R,4aR,4bR,9S,10aR)-9-hydroxy-1,4a-dimethyl-7-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid - C[C@]12CCC[C@@]([C@@H]1C[C@@H](C3=CC(=O)CC[C@H]23)O)(C)C(=O)O	C₁₇H₂₄O₄	292.4
-	(7Z)-3-[(3R)-1,1-dioxothiolan-3-yl]-9-methyl-7-(thiophen-2-ylmethylidene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one - CC1=C2C(=CC3=C1O/C(=C\C4=CC=CS4)/C3=O)CN(CO2)[C@@H]5CCS(=O)(=O)C5	C₂₀H₁₉NO₅S₂	417.5
-	2-[(2S,4S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine - CC[C@]1(C[C@@](CCO1)(CCNCC2=CC=CO2)C3=CC=CC=C3)C	C₂₁H₂₉NO₂	327.5