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CAS No.	英文名/中文名/SMILES	分子式	分子量
19253-84-0	Glucosinalbin GLUCOSINALBIN C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O	C₁₄H₁₉NO₁₀S₂	425.4
201605-27-8	[(1R,2R,4R,5R,6S,10R)-5-Hydroxy-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate 10-O-trans-p-methoxycinnamoyl-catalpol COC1=CC=C(C=C1)C=CC(=O)OCC23C4C(C=COC4OC5C(C(C(C(O5)CO)O)O)O)C(C2O3)O	C₂₅H₃₀O₁₂	522.5
2043020-08-0	Hydroxyl icariin 羟基淫羊藿苷 CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC(C(=C)C)O)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O	C₃₃H₄₀O₁₆	692.7
205445-00-7	[(2S,3S,4S,5R,6S)-5-hydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate 朝藿苷丙 CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C	C₄₁H₅₂O₂₁	880.8
2095596-67-9	Rheumone B Rheumone B CC1=COC(=O)C2=C(C3=C(C=C(C=C3C=C2C1)OC)OC4C(C(C(C(O4)CO)O)O)O)O	C₂₂H₂₄O₁₀	448.4
11042-64-1	gamma-Oryzanol 谷维素 CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C	C₄₀H₅₈O₄	602.9
2170228-67-6	Eupalinolide O 野马追内酯O CC1=CC2C(C(CC(=CCC1OC(=O)C)C=O)OC(=O)C(=CCO)C)C(=C)C(=O)O2	C₂₂H₂₆O₈	418.4
21848-62-4	Norglaucin 去甲海罂粟碱 COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)OC)NCCC3=C1)OC	C₂₀H₂₃NO₄	341.4
2190-22-9	1,3-Linolein-2-olein 1,3-亚油酸-2-油酸甘油酯 CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC	C₅₇H₁₀₀O₆	881.4
23109-05-9	alpha-Amanitine Α-毒伞肽 CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O	C₃₉H₅₄N₁₀O₁₄S	919.0