小分子和化合物库
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甲酰胺-¹³CCAS号: 51284-91-4分子式: 13CH3NO 分子量: 46.03IUPAC Name: aminoformaldehydeSMILES: C(=O)NInChIKey: ZHNUHDYFZUAESO-OUBTZVSYSA-NInChI: 1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1
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维生素D₂(6,19,19-d₃)溶液CAS号: 1217448-46-8分子式: C28D3H41O 分子量: 399.67IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-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: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: MECHNRXZTMCUDQ-OQGZBSKRSA-NInChI: See more
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胆固醇-2,2,3,4,4,6-d₆CAS号: 92543-08-3分子式: C27H40D6O 分子量: 392.69IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-olSMILES: [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)CCCC(C)CInChIKey: HVYWMOMLDIMFJA-HHPLMCQASA-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/i9D,13D2,17D2,21D
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雌三醇-2,3,4-¹³C₃CAS号: 1255639-56-5分子式: C18H24O3 分子量: 291.36IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triolSMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OInChIKey: PROQIPRRNZUXQM-FDFADMNFSA-NInChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3+1,8+1,11+1
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DL-苯丙氨酸-2-13CCAS号: 64193-01-7分子式: C6H5CH213CH(NH2)CO2H 分子量: 166.18IUPAC Name: phenyl (2S)-2-amino(213C)propanoateSMILES: CC(C(=O)OC1=CC=CC=C1)NInChIKey: HCRMTRJXSDDOIK-DYQYKUGJSA-NInChI: 1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1/i7+1
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油酸-9,10-d₂CAS号: 5711-29-5分子式: CH3(CH2)7CD=CD(CH2)7CO2H 分子量: 284.47IUPAC Name: (Z)-9,10-dideuteriooctadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-FGFBQCSHSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i9D,10D
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