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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	TG(a-25:0/i-24:0/a-17:0)[rac] - CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C	C₆₉H₁₃₄O₆	1059.8
-	Cytosporaquinone A - CC(=CCOC1=CC=C(C=C1)C2=C(C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)O)O)O)C	C₂₃H₁₈O₇	406.4
-	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1R,3R,6R,8S,11S,12R,14R,15R,16R,18S)-14,18-dihydroxy-15-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol - C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CC[C@]45C[C@@]46[C@@H](CC[C@@H]5C3(C)C)[C@]7(C[C@H]([C@@H]([C@]7(C[C@@H]6O)C)[C@H](C)CC[C@H](C(C)C)O)O)C)CO)O)O)O)O)O	C₄₂H₇₂O₁₃	785.0
-	(8R,9S,10R,13S,14R,17R)-3-methoxy-10,13-dimethylspiro[2,7,8,9,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-11-one - C[C@]12CCC(=CC1=CC[C@H]3[C@@H]2C(=O)C[C@]4([C@@H]3CC[C@]45CO5)C)OC	C₂₁H₂₈O₃	328.4
-	(4S)-4-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-(3-methylbut-2-enyl)cyclohex-2-en-1-one - CC(=CCC1=C([C@H](CCC1=O)O)/C=C/C(C)(C)O)C	C₁₆H₂₄O₃	264.36
126766-31-2	GR 89696 - COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl	C₁₉H₂₅Cl₂N₃O₃	414.3
-	[(2S,3R,4S,5R,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate - C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)CO)O)O)O)O)O	C₄₈H₅₆O₂₇	1064.9
-	2-Benzoyloxy-3-butenyl glucosinolate - C=C[C@H](C/C(=N/OS(=O)(=O)O)/S[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)OC(=O)C2=CC=CC=C2	C₁₈H₂₃NO₁₁S₂	493.5
-	2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-7-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide - CC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)NCCC4=CNC5=CC=CC=C54	C₂₇H₂₉N₃O₅	475.5
105108-21-2	Butanoic acid, 3-hydroxy-3-methyl-, 5-acetyl-2,3-dihydro-2-(1-methylethenyl)-3-benzofuranyl ester, (2R-trans)- - CC(=C)[C@@H]1[C@H](C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)CC(C)(C)O	C₁₈H₂₂O₅	318.4