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CAS No.	英文名/中文名/SMILES	分子式	分子量
3172-99-4	Coumestrol dimethyl ether 拟雌内酯二甲基乙醚 COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC)OC3=O	C₁₇H₁₂O₅	296.27
42220-80-4	2,3-Dimethoxy-2'-hydroxychalcone 2,3-二甲氧基-2'-羟基查耳酮 COC1=CC=CC(=C1OC)C=CC(=O)C2=CC=CC=C2O	C₁₇H₁₆O₄	284.31
28282-54-4	beta-Elemolic acid 欖[香]甾醇酸 CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C	C₃₀H₄₈O₃	456.7
21087-74-1	Epiprogoitrin, potassium salt Epiprogoitrin potassium salt C=CC(CC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O)O.[K+]	C₁₁H₁₈KNO₁₀S₂	427.5
67920-64-3	potassium;[(E)-[10-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyldecylidene]amino] sulfate Glucoarabin potassium salt CS(=O)CCCCCCCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	C₁₇H₃₂KNO₁₀S₃	545.7
245550-65-6	potassium;[(E)-[6-methylsulfanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexylidene]amino] sulfate Glucoberteroin potassium salt CSCCCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	C₁₃H₂₄KNO₉S₃	473.6
245550-58-7	Potassium (1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)hex-5-en-1-ylidene)amino sulfate Glucobrassicanapin potassium salt C=CCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	C₁₂H₂₀KNO₉S₂	425.5
143231-38-3	potassium;[(E)-[2-(1H-indol-2-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate Glucobrassicin potassium salt C1=CC=C2C(=C1)C=C(N2)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O.[K+]	C₁₆H₁₉KN₂O₉S₂	486.6
67884-10-0	Glucocamelinin Glucocamelinin potassium salt CS(=O)CCCCCCCCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	C₁₈H₃₄KNO₁₀S₃	559.8
15592-36-6	beta-d-Glucopyranose, 1-thio-, 1-[4-(methylsulfonyl)-N-(sulfooxy)butanimidate], monopotassium salt 桂竹香苷钾盐 CS(=O)(=O)CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	C₁₁H₂₀KNO₁₁S₃	477.6