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甘氨脱氧胆酸(GDCA)CAS号 : 360-65-6分子式: C26H43NO5(anhy) 分子量: 449.62(anhy)IUPAC Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acidSMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)CInChIKey: WVULKSPCQVQLCU-BUXLTGKBSA-NInChI: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1
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6-[(1E)-2-(3,4-二羟基苯基)乙烯基]-4-羟基-2H-吡喃-2-酮(Hispidin)分子式: C13H10O5 分子量: 246.22IUPAC Name: 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-oneSMILES: C1=CC(=C(C=C1C=CC2=CC(=CC(=O)O2)O)O)OInChIKey: SGJNQVTUYXCBKH-HNQUOIGGSA-NInChI: InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+
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AS1517499CAS号 : 919486-40-1 Compound CID : 10340781分子式: C20H20ClN5O2 分子量: 397.86IUPAC Name: 4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamideSMILES: C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NCCC3=CC(=C(C=C3)O)ClInChIKey: OZRMEKAUZBKTTC-UHFFFAOYSA-NInChI: InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)