小分子和化合物库
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鱼藤酮分子式: C23H22O6 分子量: 394.42IUPAC Name: (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-oneSMILES: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OCInChIKey: JUVIOZPCNVVQFO-HBGVWJBISA-NInChI: 1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
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茄尼醇CAS号: 13190-97-1分子式: C45H74O 分子量: 631.07IUPAC Name: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-olSMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)CInChIKey: AFPLNGZPBSKHHQ-MEGGAXOGSA-NInChI: See more
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噻呋酰胺CAS号: 130000-40-7分子式: C13H6Br2F6N2O2S 分子量: 528.06IUPAC Name: N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamideSMILES: CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)FInChIKey: WOSNCVAPUOFXEH-UHFFFAOYSA-NInChI: 1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
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10-姜酚CAS号: 23513-15-7分子式: C21H34O4 分子量: 350.49IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-oneSMILES: CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OInChIKey: AIULWNKTYPZYAN-SFHVURJKSA-NInChI: 1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
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金丝桃素分子式: C30H16O8 分子量: 504.44IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dioneSMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)OInChIKey: YDOIFHVUBCIUHF-UHFFFAOYSA-NInChI: 1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3
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中乌头碱CAS号: 2752-64-9分子式: C33H45NO11 分子量: 631.71IUPAC Name: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoateSMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OCInChIKey: XUHJBXVYNBQQBD-TUWOXVOMSA-NInChI: See more
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