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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	2-[[2-[[2-[[1-[27-(Cyclopentylmethyl)-17,23-dihydroxy-9,12-bis(2-methylpropyl)-2,8,11,14,20,26,32,35-octaoxo-33-propan-2-yl-1,7,10,13,19,25,28,31,34-nonazapentacyclo[34.3.0.03,7.015,19.021,25]nonatriacont-29-ene-30-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid - CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(=CNC(C(=O)N4CC(CC4C(=O)N5CC(CC5C(=O)N1)O)O)CC6CCCC6)C(=O)N7CCCC7C(=O)NC(CC(C)C)C(=O)NC(CC8=CC=CC=C8)C(=O)NCC(=O)O)C(C)C)CC(C)C	C₇₀H₁₀₅N₁₃O₁₆	1384.7
3194-17-0	2-Pentanoylfuran - CCCCC(=O)C1=CC=CO1	C₉H₁₂O₂	152.19
-	[(2R)-3-(15-methylhexadecanoyloxy)-2-(10-methylundecanoyloxy)propyl] docosanoate - CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C	C₅₄H₁₀₄O₆	849.4
-	3-hydroxy-N-[(4-hydroxyphenyl)methylideneamino]benzamide - C1=CC(=CC(=C1)O)C(=O)NN=CC2=CC=C(C=C2)O	C₁₄H₁₂N₂O₃	256.26
-	2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(1-methyl-1H-benzimidazol-2-yl)propyl]acetamide - CN1C2=CC=CC=C2N=C1CCCNC(=O)CC3C(=O)NC4=CC=CC=C4C(=O)N3	C₂₂H₂₃N₅O₃	405.4
-	Prop-2-enyl 2-[4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yloxy]acetate - COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC(=O)OC4=C3C=CC(=C4)OCC(=O)OCC=C	C₂₄H₁₈O₈	434.4
-	6-Benzoyl-5-hydroxy-4-(3-methoxy-4-((2-methylallyl)oxy)phenyl)chroman-2-one - CC(=C)COC1=C(C=C(C=C1)C2CC(=O)OC3=C2C(=C(C=C3)C(=O)C4=CC=CC=C4)O)OC	C₂₇H₂₄O₆	444.5
-	(2S,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,6a,6b,9,9,12a-hexamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid - C[C@@]1(CC[C@@H]2CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)C)[C@@H]2C1)C)C(=O)O	C₃₈H₅₂O₆	604.8
-	soysaponin A2 - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@@H]3CC(C[C@@H]4[C@]3(CC[C@@]5(C4=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)C)(C)C)O)O)O)O)O	C₅₃H₈₆O₂₂	1075.2
-	3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide - COC1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=O)NCC3=CN=CC=C3	C₂₂H₂₀N₂O₂	344.4