小分子和化合物库
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3-羟基-3-甲基戊二酸CAS号: 503-49-1分子式: C6H10O5 分子量: 162.14IUPAC Name: 3-hydroxy-3-methylpentanedioic acidSMILES: CC(CC(=O)O)(CC(=O)O)OInChIKey: NPOAOTPXWNWTSH-UHFFFAOYSA-NInChI: 1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
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DL-异柠檬酸三钠盐 水合物CAS号: 1637-73-6分子式: C6H5O7Na3·xH2O 分子量: 258.07 (anhydrous basis)IUPAC Name: trisodium;1-hydroxypropane-1,2,3-tricarboxylateSMILES: C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]InChIKey: HWMVXEKEEAIYGB-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
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胆固醇壬酸酯CAS号: 1182-66-7分子式: C36H62O2 分子量: 526.89IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoateSMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: WCLNGBQPTVENHV-MKQVXYPISA-NInChI: See more
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1,4-屈醌CAS号: 100900-16-1分子式: C18H10O2 分子量: 258.28IUPAC Name: chrysene-1,4-dioneSMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C=CC4=OInChIKey: UORKIKBNUWJNJF-UHFFFAOYSA-NInChI: 1S/C18H10O2/c19-16-9-10-17(20)18-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(16)18/h1-10H
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28-高芸苔素內酯CAS号: 82373-95-3分子式: C29H50O6 分子量: 494.70IUPAC Name: (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-oneSMILES: CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)OInChIKey: HJIKODJJEORHMZ-NNPZUXBVSA-NInChI: See more
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NADPH,辅酶CAS号: 2646-71-1分子式: C21H26N7Na4O17P3 · xH2O 分子量: 833.35 (anhydrous basis)IUPAC Name: See moreSMILES: [Na+].[Na+].[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@H]2O[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@H](O)[C@@H]2OInChIKey: WYWWVJHQDVCHKF-ITGWJZMWSA-JInChI: See more
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顺式氯菊酯农药纯度标准物质CAS号: 54774-45-7分子式: C21H20Cl2O3 分子量: 391.29IUPAC Name: (3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylateSMILES: CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)CInChIKey: RLLPVAHGXHCWKJ-HKUYNNGSSA-NInChI: 1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1
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黑曲霉二糖CAS号: 497-48-3分子式: C12H22O11 分子量: 342.3IUPAC Name: (3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triolSMILES: C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)OInChIKey: QIGJYVCQYDKYDW-NSYYTRPSSA-NInChI: 1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11?,12-/m1/s1
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