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糖原分子式: (C6H10O5)nIUPAC Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)OInChIKey: BYSGBSNPRWKUQH-UJDJLXLFSA-NInChI: InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1
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对甲酚-D7CAS号 : 202325-52-8分子式: C7HD7O 分子量: 115.18IUPAC Name: 2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenolSMILES: CC1=CC=C(C=C1)OInChIKey: IWDCLRJOBJJRNH-AAYPNNLASA-NInChI: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D
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三金刚烷-d62CAS号 : 93952-07-9 Compound CID : 16212947分子式: CD3(CD2)28CD3 分子量: 485.2IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,30-dohexacontadeuteriotriacontaneSMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCInChIKey: JXTPJDDICSTXJX-NHHWXLSESA-NInChI: InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2
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正辛醛-d16CAS号 : 1219794-66-7 Compound CID : 71751283分子式: C8D16O 分子量: 144.31IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-oneSMILES: CCCCCCCC=OInChIKey: NUJGJRNETVAIRJ-ZEFOBESCSA-NInChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D
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1,3-二氯-2-丙醇-d5CAS号 : 1173020-20-6 Compound CID : 57369126分子式: C3HD5Cl2O 分子量: 134.02IUPAC Name: 1,3-dichloro-1,1,2,3,3-pentadeuteriopropan-2-olSMILES: C(C(CCl)O)ClInChIKey: DEWLEGDTCGBNGU-UXXIZXEISA-NInChI: InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2/i1D2,2D2,3D
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25-羟基维生素 D₃-26,26,26,27,27,27-d₆ 一水合物CAS号 : 2483831-70-3分子量: 424.69SMILES: C[C@]1(CCC/2)C(CCC1[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=C\\C=C(C[C@@H](O)CC3)/C3=C.[H]O[H]InChIKey: WRLFSJXJGJBFJQ-DZAJWRDGSA-NInChI: 1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24?,25?,27-;/m1./s1/i3D3,4D3;
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25-羟基维生素D₃-26,26,26,27,27,27-d₆硫酸钠盐溶液CAS号 : 99447-30-0 Compound CID : 6438836分子式: C₂₇H₄₃O₅S・Na 分子量: 502.68IUPAC Name: [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfateSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC(=CC=C3CC(CCC3=C)OS(=O)(=O)O)C2)CInChIKey: UDUUTSLXXOJCED-QERGGUDLSA-NInChI: InChI=1S/C27H44O5S/c1-19-8-12-24(32-33(29,30)31)18-22(19)10-9-21-14-16-27(5)23(17-21)11-13-25(27)20(2)7-6-15-26(3,4)28/h9-10,20,23-25,28H,1,6-8,11-18H2,2-5H3,(H,29,30,31)/b21-9-,22-10-/t20-,23+,24+,25-,27+/m1/s1
