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CAS No.	英文名/中文名/SMILES	分子式	分子量
87-05-8	7-Ethoxy-4-methylcoumarin 7-乙氧基-4-甲基香豆素 CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C	C₁₂H₁₂O₃	204.22
4319-02-2	3,5-Dihydroxy-4-methoxybenzoic acid 4-O-甲基没食子酸 COC1=C(C=C(C=C1O)C(=O)O)O	C₈H₈O₅	184.15
5187-84-8	Neoglucobrassicin 新葡萄糖芸苔素钾盐 CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	C₁₇H₂₂N₂O₁₀S₂	478.5
21087-77-4	2-Hydroxybut-3-enyl-glucosinolat potassium salt, HPLC Grade Progoitrin potassium salt C=CC(CC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O)O.[K+]	C₁₁H₁₈KNO₁₀S₂	427.5
90-74-4	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal 芸香糖 CC1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O	C₁₂H₂₂O₁₀	326.30
6471-60-9	(2R,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal 麦芽九糖 C(C1C(C(C(C(O1)OCC(C(C(C(C=O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O	C₅₄H₉₂O₄₆	1477.3
6082-21-9	Maltodecaose 麦芽十糖 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(C(C1O)O)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O	C₆₀H₁₀₂O₅₁	1639.4
50270-86-5	Maltoundecose 麦芽十一糖 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(C(C1O)O)OC1C(OC(C(C1O)O)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O	C₆₆H₁₁₂O₅₆	1801.6
8007-70-3	2-[Bis[2-(12-hydroxyoctadec-9-enoyloxy)ethyl]amino]ethyl 12-hydroxyoctadec-9-enoate 大茴香油 CCCCCCC(CC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCC(CCCCCC)O)CCOC(=O)CCCCCCCC=CCC(CCCCCC)O)O	C₆₀H₁₁₁NO₉	990.5
1353867-74-9	Oxyclozanide Oxyclosanid-13C6 C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl	C₁₃H₆Cl₅NO₃	401.4