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小分子和化合物库
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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: See more
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1-油酰基-2-羟基-sn-甘油-3-磷酸-(1'-rac-甘油)(钠盐)CAS号: 326495-24-3 Compound CID : 131877805分子式: C24H46O9PNa 分子量: 532.58SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O.[Na]InChIKey: OGNWFUWCKLVNBU-AXFOVFEGSA-NInChI: 1S/C24H47O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25;/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30);/b10-9-;/t22?,23-;/m1./s1
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四螨嗪CAS号: 74115-24-5 EC号: 277-728-2分子式: C14H8Cl2N4 分子量: 303.15IUPAC Name: 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazineSMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)ClInChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-NInChI: 1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
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L-丝氨酸-¹⁵NCAS号: 59935-32-9分子式: HOCH2CH(15NH2)CO2H 分子量: 106.09IUPAC Name: (2S)-2-(15N)azanyl-3-hydroxypropanoic acidSMILES: C(C(C(=O)O)N)OInChIKey: MTCFGRXMJLQNBG-GZPBOPPUSA-NInChI: 1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i4+1
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L-半胱氨酸-¹⁵NCAS号: 204523-09-1分子式: HSCH2CH(15NH2)CO2H 分子量: 122.15IUPAC Name: 2-(15N)azanyl-3-sulfanylpropanoic acidSMILES: C(C(C(=O)O)N)SInChIKey: XUJNEKJLAYXESH-AZXPZELESA-NInChI: 1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i4+1
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L-天冬酰胺-¹⁵N₂ 一水合物CAS号: 287484-32-6分子式: H215NCOCH2CH(15NH2)CO2H·H2O 分子量: 152.12IUPAC Name: (2S)-2,4-bis(15N)(azanyl)-4-oxobutanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-SQHSRYIDSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i5+1,6+1;
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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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咪唑-¹⁵N₂CAS号: 74362-46-2分子式: C3H4¹⁵N2 分子量: 70.06IUPAC Name: (1,3-15N2)1H-imidazoleSMILES: C1=CN=CN1InChIKey: RAXXELZNTBOGNW-MQIHXRCWSA-NInChI: 1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i4+1,5+1
