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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione - CC1=CC2=C(C(=C(C(=O)O2)C)C)C3=C1C(=O)C[C@H](O3)C4=CC(=C(C=C4)OC)O	C₂₂H₂₀O₆	380.4
-	(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one - C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=CC(=C3C(=C2)O[C@H]([C@@H](C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O	C₂₁H₂₂O₁₁	450.4
-	(1S,3aR,5S,5aS,8aS,9S,9aS)-9-hydroxy-5,8a-dimethylspiro[3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-1,2'-oxirane]-2,8-dione - C[C@H]1C[C@@H]2[C@H]([C@@H]([C@@]3([C@@H]1C=CC3=O)C)O)[C@]4(CO4)C(=O)O2	C₁₅H₁₈O₅	278.30
-	N-[(2R)-1-[[(3S,6S,9R,12R,15R,18S,19R)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide - CCC(C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)[C@@H](C)O)CO)C	C₄₆H₆₇N₇O₁₁	894.1
7492-44-6	2-Benzylidenehexanal - CCCCC(=CC1=CC=CC=C1)C=O	C₁₃H₁₆O	188.26
7779-72-8	Isoamyl pyruvate - CC(C)CCOC(=O)C(=O)C	C₈H₁₄O₃	158.19
-	N~5~-carbamoyl-N~2~-[(6'-methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetyl]-L-ornithine - CC1=C(C(=O)OC2=C1C=C3CCC4(CCCCC4)OC3=C2)CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O	C₂₆H₃₃N₃O₇	499.6
-	Secovironolide - CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C(=O)[C@@]45[C@@]3(CC[C@@H](C4=COC5=O)O)C)C	C₂₂H₂₆O₅	370.4
111537-44-1	(1S,14R)-20,25-dimethoxy-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol - COC1=C2C=C3[C@H](CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O2)C(=C(C=C7CCN6)OC)O)O)NCCC3=C1	C₃₄H₃₄N₂O₆	566.6
-	(4aS,9bR)-2,8-dimethyl-N-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide - CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)NC4=CC=CC=C4	C₂₀H₂₃N₃O	321.4