小分子和化合物库
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托拉唑胺分子式: C14H21N3O3S 分子量: 311.4IUPAC Name: 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylureaSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2InChIKey: OUDSBRTVNLOZBN-UHFFFAOYSA-NInChI: 1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
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3,5-二碘-L-甲状腺素CAS号: 1041-01-6分子式: C15H13I2NO4 分子量: 525.08IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acidSMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)IInChIKey: ZHSOTLOTTDYIIK-ZDUSSCGKSA-NInChI: 1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
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(10E,15Z)-9,12,13-三羟基八十-10,15-二烯oic acidCAS号: 185147-97-1 Compound CID : 44559173分子量: 328.44SMILES: CC/C=C\CC(C(/C=C/C(CCCCCCCC(=O)O)O)O)OInChIKey: MKYUCBXUUSZMQB-MKZMYESJSA-NInChI: 1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
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1,6,10,14-Phyta四ene-3,5,9-三olCAS号: 263873-69-4分子量: 322.48SMILES: C\\C(C)=C\\CC\\C(C)=C\\C(O)C\\C(C)=C\\C(O)CC(C)(O)C=CInChIKey: ORFNMFQBYRQSRP-IUBLYSDUSA-NInChI: 1S/C20H34O3/c1-7-20(6,23)14-19(22)13-17(5)12-18(21)11-16(4)10-8-9-15(2)3/h7,9,11,13,18-19,21-23H,1,8,10,12,14H2,2-6H3/b16-11+,17-13+
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Icariside F2CAS号: 115009-57-9分子式: C18H26O10 分子量: 402.39IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triolSMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)OInChIKey: NJMQSVWMCODQIP-FQXXIRCGSA-NInChI: 1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
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MaesopsinCAS号: 5989-16-2分子式: C15H12O6 分子量: 288.25IUPAC Name: 2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-oneSMILES: C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: LOFYFDPXORJJEE-UHFFFAOYSA-NInChI: 1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
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Plumeride p-香豆酸盐CAS号: 80416-52-0分子式: C30H32O14 分子量: 616.57IUPAC Name: See moreSMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)OInChIKey: WBCMGDNFDRNGGZ-FKYHQWBNSA-NInChI: See more
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