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儿茶酚-d4CAS号: 103963-58-2分子式: C6H2D4O2 分子量: 114.14IUPAC Name: 3,4,5,6-tetradeuteriobenzene-1,2-diolSMILES: C1=CC=C(C(=C1)O)OInChIKey: YCIMNLLNPGFGHC-RHQRLBAQSA-NInChI: 1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D
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尿苷-5,6-d2CAS号: 40632-21-1分子式: C9H10D2N2O6 分子量: 246.21IUPAC Name: 5,6-dideuterio-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneSMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OInChIKey: DRTQHJPVMGBUCF-TTYVMISXSA-NInChI: 1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7?,8-/m1/s1/i1D,2D
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L-乳酸钠-(¹³C)3 溶液CAS号: 201595-71-3分子式: 13CH313CH(OH)13CO2Na 分子量: 115.04IUPAC Name: sodium;(2S)-2-hydroxy(1,2,3-13C3)propanoateSMILES: CC(C(=O)[O-])O.[Na+]InChIKey: NGSFWBMYFKHRBD-USULVYIHSA-MInChI: 1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i1+1,2+1,3+1;
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鹅去氧胆酸-¹³C24CAS号: 52918-92-0分子式: C23(13C)H40O4 分子量: 393.56IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl](113C)pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: RUDATBOHQWOJDD-NIOAGLPLSA-NInChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i21+1
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17α-羟基孕酮-2,3,4-¹³C₃CAS号: 1356154-92-1分子量: 333.44SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=[13CH][13C](=O)[13CH2]C[C@]4(C)[C@H]3CC[C@]12CInChIKey: DBPWSSGDRRHUNT-GGSYSODVSA-NInChI: 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i6+1,12+1,15+1
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25-羟基维生素 D₂ (6,19,19-d₃)CAS号: 1217467-39-4 Compound CID : 71310751分子式: C28D3H41O2 分子量: 415.67IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-olSMILES: [2H]/C([2H])=C1CC[C@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)\C=C\[C@H](C)C(C)(C)OInChIKey: KJKIIUAXZGLUND-ABHIMYCLSA-NInChI: See more
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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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棕榈酸-¹³C₁₆CAS号: 56599-85-0分子式: (13C)16H32O2 分子量: 272.31IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-BZDICNBSSA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
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L-Kynurenine-d4CAS号: 2672568-86-2分子式: C10H8D4N2O3 分子量: 212.24SMILES: O=C([C@H](C([2H])([2H])C(C1=CC([2H])=CC([2H])=C1N)=O)N)O
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6-O-棕榈酰-L-抗坏血酸分子式: C22H38O7 分子量: 414.53IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)OInChIKey: QAQJMLQRFWZOBN-LAUBAEHRSA-NInChI: 1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
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羟利培酮-D4CAS号: 1020719-55-4 EC号: 200-659-6分子式: C23D4H23FN4O3 分子量: 430.51IUPAC Name: 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: PMXMIIMHBWHSKN-FJVJJXCISA-NInChI: 1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2
