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小分子和化合物库
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己烯雌酚标准物质分子式: C18H20O2 分子量: 268.35IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolSMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-NInChI: 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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胆固醇纯度标准物质分子式: C27H46O 分子量: 386.65IUPAC 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-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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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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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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D-葡萄糖醛酸钠盐一水合物CAS号: 207300-70-7 Compound CID : 24892836分子式: C6H11NaO8 分子量: 234.14IUPAC Name: sodium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate;hydrateSMILES: C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.O.[Na+]InChIKey: ICQRTPLATMRWJI-JLWXJWIASA-MInChI: 1S/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/p-1/t2-,3+,4-,5-;;/m0../s1
