小分子和化合物库
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蜕皮激素CAS号: 5289-74-7分子式: C27H44O7 分子量: 480.63IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneSMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)OInChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-NInChI: See more
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磺胺间甲氧嘧啶分子式: C11H12N4O3S 分子量: 280.3IUPAC Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamideSMILES: COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NInChIKey: WMPXPUYPYQKQCX-UHFFFAOYSA-NInChI: 1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
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杨梅酮 4'-甲醚-3-O-鼠李糖苷CAS号: 30484-88-9 Compound CID : 6918652分子式: C22H22O12 分子量: 478.4IUPAC Name: 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-oneSMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)OInChIKey: NAQNISJXKDSYJD-DHWIRCOFSA-NInChI: 1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
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芍药内酯苷CAS号: 39011-90-0分子式: C23H28O11 分子量: 480.46IUPAC Name: [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoateSMILES: CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: QQUHMASGPODSIW-ICECTASOSA-NInChI: 1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
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