小分子和化合物库
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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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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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L-精氨酸-¹³C₆,¹⁵N₄盐酸盐CAS号: 202468-25-5分子式: 13C6H15Cl¹⁵N4O2 分子量: 220.59IUPAC Name: (2S)-2-(15N)azanyl-5-[bis(15N)(azanyl)(113C)methylideneamino](1,2,3,4,5-13C5)pentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN=C(N)N.ClInChIKey: KWTQSFXGGICVPE-YAUSPDTOSA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1;
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