小分子和化合物库
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五氟利多CAS号: 26864-56-2 Compound CID : 33630分子式: C28H27ClF5NO 分子量: 523.97IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-olSMILES: C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)FInChIKey: MDLAAYDRRZXJIF-UHFFFAOYSA-NInChI: 1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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琥珀酰磺胺噻唑分子式: C13H13N3O5S2 分子量: 355.38IUPAC Name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acidSMILES: C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2InChIKey: SKVLYVHULOWXTD-UHFFFAOYSA-NInChI: 1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
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山萘酚3-葡萄糖苷CAS号: 480-10-4分子式: C21H20O11 分子量: 448.38IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OInChIKey: JPUKWEQWGBDDQB-QSOFNFLRSA-NInChI: 1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
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甘氨胆酸 水合物CAS号: 1192657-83-2 Compound CID : 24856164分子式: C26H43NO6 · xH2O 分子量: 465.62IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 acid;hydrateSMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.OInChIKey: WDKPRHOCWKLQPK-ZUHYDKSRSA-NInChI: See more
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槲皮素-3- D -木糖苷CAS号: 549-32-6分子式: C20H18O11 分子量: 434.35IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-oneSMILES: C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)OInChIKey: PZZRDJXEMZMZFD-BWYUNELBSA-NInChI: 1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1
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甘氨鹅脱氧胆酸钠CAS号: 16564-43-5分子式: C26H42NNaO5 分子量: 471.61IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]acetateSMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]InChIKey: AAYACJGHNRIFCT-YRJJIGPTSA-MInChI: See more
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二氢松油基乙烯基单甲醚CAS号: 17635-59-5分子式: C15H16O2 分子量: 228.29IUPAC Name: 3-methoxy-5-(2-phenylethyl)phenolSMILES: COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2InChIKey: HPEFWCAKFRCLBD-UHFFFAOYSA-NInChI: 1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
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食欲肽B (老鼠) ≥97%, ≥97% (HPLC)CAS号: 202801-92-1 Compound CID : 90479795分子式: C126H215N45O34SIUPAC Name: See moreSMILES: See moreInChIKey: RLVZFBVFVIDDPQ-GWQFQBPDSA-NInChI: See more
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二氢杨梅素CAS号: 27200-12-0分子式: C15H12O8 分子量: 320.25IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KJXSIXMJHKAJOD-LSDHHAIUSA-NInChI: 1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
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