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CAS No.	英文名/中文名/SMILES	分子式	分子量
126767-83-7	5,7-Dihydroxy-6-methoxy-2,8-dimethyl-4H-1-benzopyran-4-one - CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)OC)O)C	C₁₂H₁₂O₅	236.22
-	Yfbkcesbpagzcb-oizlzyfosa- - C/C=C(\C)/C(=O)OC[C@@]12[C@H](C[C@H]([C@]([C@H]1[C@H](C[C@@H]([C@]23CO3)OC(=O)C)OC(=O)C)(C)CCC4=CC(=O)OC4)C)OC(=O)C	C₃₁H₄₂O₁₁	590.7
188686-55-7	1,4,8,11-Tetraazacyclotetradecane-2,10-dione - C1CNCC(=O)NCCCNC(=O)CNC1	C₁₀H₂₀N₄O₂	228.29
-	TG(a-17:0/i-21:0/i-20:0)[rac] - CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C	C₆₁H₁₁₈O₆	947.6
-	(E,6S)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid - C[C@@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CCC(=C(C)C)[C@H]3CCC(=O)O)C)C)C	C₃₀H₄₈O₄	472.7
-	(2R,4S,4aR,6aR,6aS,14aS,14bS)-4,11-dihydroxy-9-(hydroxymethyl)-10-methoxy-2,4a,6a,6a,14a-pentamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione - C[C@@H]1C[C@@H]2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC(=O)C5=C(C(=C(C=C54)O)OC)CO)C)C)C)([C@@H](C1=O)O)C	C₂₉H₃₈O₆	482.6
-	[(3S,7R,8S,9S,10R,13S,14R,16S,17R)-16-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate - C[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@@H]([C@@H]4[C@H](C=C3C2)OC(=O)C)C[C@@H]([C@@H]5[C@H](C)CCC(=C)C(C)C)O)C)C)O)O)O	C₃₆H₅₈O₈	618.8
-	[(4S,4aS,7S,7aS,12bR)-4a-bromo-9-methoxy-3,7a-dimethyl-2,4,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate - CC(=O)O[C@H]1C=C[C@]2([C@@H]3CC4=C5[C@@]2([C@@]1(OC5=C(C=C4)OC)C)CCN3C)Br	C₂₁H₂₄BRNO₄	434.3
583-60-8	2-Methylcyclohexanone - CC1CCCCC1=O	C₇H₁₂O	112.17
-	1-[[(2R,4S)-2-[(1S,6S)-6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]piperidine - C[C@H]1CC(=CC[C@@H]1[C@@H]2OC[C@@H](O2)CN3CCCCC3)CCC=C(C)C	C₂₂H₃₇NO₂	347.5