小分子和化合物库
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天然辣椒碱分子式: C18H27NO3 分子量: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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天然辣椒碱分子式: C18H27NO3 分子量: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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碳酸盐离子载体VIICAS号: 222310-82-9 Compound CID : 99649076分子式: C58H79F6NO7 分子量: 1016.24IUPAC Name: See moreSMILES: CCCCCCCCN(CCCCCCCC)C(=O)CCC(C)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC(=O)C6=CC=C(C=C6)C(=O)C(F)(F)F)CInChIKey: PNOQSKXIBWVYCX-PNZPGYLPSA-NInChI: See more
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头孢磺啶钠盐水合物CAS号: 52152-93-9分子式: C22H19N4NaO8S2·xH2O 分子量: 554.52(as Anhydrous)IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]InChIKey: REACMANCWHKJSM-DWBVFMGKSA-MInChI: See more
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氰胺3-葡糖苷CAS号: 7084-24-4分子式: C21H21ClO11 分子量: 484.84IUPAC Name: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chlorideSMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-]InChIKey: YTMNONATNXDQJF-UBNZBFALSA-NInChI: 1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
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氯化矢车菊素分子式: C15H11ClO6 分子量: 322.7IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chlorideSMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-]InChIKey: COAWNPJQKJEHPG-UHFFFAOYSA-NInChI: 1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H
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双醋瑞因CAS号: 13739-02-1 EC号: 237-310-2分子式: C19H12O8 分子量: 368.29IUPAC Name: 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acidSMILES: CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)OInChIKey: TYNLGDBUJLVSMA-UHFFFAOYSA-NInChI: 1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
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Exendin 片段 9-39CAS号: 133514-43-9 Compound CID : 16198321分子式: C149H234N40O47S 分子量: 3369.76IUPAC Name: See moreSMILES: See moreInChIKey: WSEVKKHALHSUMB-MVNVRWBSSA-NInChI: See more
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溴化乙锭(EB)CAS号: 1239-45-8分子式: C21H20BrN3 分子量: 394.32IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromideSMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]InChIKey: ZMMJGEGLRURXTF-UHFFFAOYSA-NInChI: 1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H
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溴化乙锭(EB)CAS号: 1239-45-8分子式: C21H20BrN3 分子量: 394.32IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromideSMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]InChIKey: ZMMJGEGLRURXTF-UHFFFAOYSA-NInChI: 1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H
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EMA[单叠氮化溴乙非啶]CAS号: 58880-05-0分子式: C21H18BrN5 分子量: 420.305IUPAC Name: 8-azido-5-ethyl-6-phenylphenanthridin-5-ium-3-amine;bromideSMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N.[Br-]InChIKey: GHUXAYLZEGLXDA-UHFFFAOYSA-NInChI: 1S/C21H17N5.BrH/c1-2-26-20-12-15(22)8-10-18(20)17-11-9-16(24-25-23)13-19(17)21(26)14-6-4-3-5-7-14;/h3-13,22H,2H2,1H3;1H
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