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小分子和化合物库
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7-羟基氯丙嗪-d6盐酸盐分子式: C17H13D6ClN2OS • HCl 分子量: 376.59IUPAC Name: 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-olSMILES: CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)ClInChIKey: HICFFJZGXWEIHN-UHFFFAOYSA-NInChI: 1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
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L-异亮氨酸-15NCAS号: 59935-30-7分子式: C6H1315NO2 分子量: 132.17IUPAC Name: (2S,3S)-2-(15N)azanyl-3-methylpentanoic acidSMILES: CCC(C)C(C(=O)O)NInChIKey: AGPKZVBTJJNPAG-NNXLWEQRSA-NInChI: 1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1
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L-丙氨酸-15NCAS号: 25713-23-9分子式: C3H715NO2 分子量: 90.09IUPAC Name: (2S)-2-(15N)azanylpropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GZPBOPPUSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i4+1
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α-L-天冬酰胺-15N 一水合物CAS号: 204451-47-8分子式: C4H815NNO3· H2O 分子量: 151.13IUPAC Name: 2,4-diamino-4-oxobutanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-UHFFFAOYSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
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正辛醛-d16CAS号: 1219794-66-7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: 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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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: See more
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D-甘露糖-1-¹³CCAS号: 70849-31-9分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-YILIOCFTSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1/i6+1
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L-脯氨酸-¹³C₅CAS号: 201740-83-2分子式: C5H9NO2 分子量: 120.09IUPAC Name: (2S)-(2,3,4,5-13C4)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-JRGPAWSWSA-NInChI: 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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L-酪氨酸-(苯基-¹³C₆)CAS号: 201595-63-3分子式: 4-(HO)13C6H4CH2CH(NH2)CO2H 分子量: 187.14IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-HXCZJXEJSA-NInChI: 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1
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丙酮酸（1-¹³C）CAS号: 99124-30-8分子式: CH3CO13CO2H 分子量: 89.05IUPAC Name: 2-oxo(113C)propanoic acidSMILES: CC(=O)[13C](O)=OInChIKey: LCTONWCANYUPML-LBPDFUHNSA-NInChI: 1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i3+1
