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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(E)-1-[(1R,2R,8R,17R,23S)-20-acetyl-26-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-13,15,21,27-tetrahydroxy-3,3,9,9,14,31,31-heptamethyl-28-[(E)-3-phenylprop-2-enoyl]-4,10,18,24,30-pentaoxaoctacyclo[23.7.1.02,23.05,22.06,19.08,17.011,16.029,33]tritriaconta-5,11(16),12,14,19,21,25(33),26,28-nonaen-12-yl]-3-phenylprop-2-en-1-one - CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C4=C2O[C@H]5[C@@H]([C@H]4CC(O3)(C)C)C(OC6=C7C[C@@H]8[C@H](C9=C(C(=C(C(=C9O)C)O)C(=O)/C=C/C1=CC=CC=C1)OC8(C)C)OC7=C(C(=C56)O)C(=O)C)(C)C)C(=O)/C=C/C1=CC=CC=C1)O)O	C₆₅H₆₂O₁₆	1099.2
-	[(3R,4R,5R,6S)-6-[[(1S,2S,5R,7S,10R,12S,15R,16R,17S,18R,21R,22R,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-7-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate - C[C@H]1[C@H]2[C@H](C[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)OC(=O)C)O)O)C)C)O[C@]8([C@@H]1OC([C@H]8O)(C)C)O	C₃₇H₅₈O₁₀	662.8
-	(1R,4aR,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid - CC(C)C1=CC2=CCC3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C	C₂₀H₃₀O₂	302.5
-	(4aR)-7-[(2R)-1,2-dihydroxypropan-2-yl]-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one - CC1=C2C=C(CC[C@@]2(CCC1=O)C)[C@](C)(CO)O	C₁₅H₂₂O₃	250.33
7659-95-2	Betanin - C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O	C₂₄H₂₆N₂O₁₃	550.5
-	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[12-hydroxy-4,4,8,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol - CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C	C₄₇H₈₀O₁₈	933.1
-	(1S,3R,7R,10S,12S,13R,15S,17R,18S,21R,22S,23R,25S,29S)-12,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone - C[C@H]1[C@@H]2[C@@H]([C@@H]3[C@H]4[C@](CC[C@]56C[C@@]78[C@@H](C[C@@H]([C@H]5C(=O)[C@@]4(O2)O6)O)C(O[C@@H]7CC(=O)O8)(C)C)(C(=O)[C@]3(C)O)C)OC1=O	C₂₉H₃₆O₁₁	560.6
29883-15-6	(2R)-2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile - C1=CC=C(C=C1)[C@H](C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	C₂₀H₂₇NO₁₁	457.4
7212-40-0	2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel- - CC(=C)[C@@H]1CC[C@@](C=C1)(C)O	C₁₀H₁₆O	152.23
-	Gentirigeoside B - C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@]7(C[C@@H]([C@@H](C(O7)(C)C)O)O)C(=O)O	C₄₂H₇₀O₁₇	847.0