小分子和化合物库
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茉莉酸 (异构体混合物)CAS号: 221682-41-3分子式: C12H18O3 分子量: 210.27IUPAC Name: 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acidSMILES: CCC=CCC1C(CCC1=O)CC(=O)OInChIKey: ZNJFBWYDHIGLCU-ARJAWSKDSA-NInChI: 1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-
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L-缬氨酸-¹³C5,¹⁵NCAS号: 202407-30-5分子式: 13C5H1115NO2 分子量: 123.1IUPAC Name: (2R)-2-(15N)azanyl-3-(113C)methyl(1,2,3,4-13C4)butanoic acidSMILES: CC(C)C(C(=O)O)NInChIKey: KZSNJWFQEVHDMF-WAPLMMNXSA-NInChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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L-丙氨酸-¹³C₃,¹⁵NCAS号: 202407-38-3分子式: 13CH313CH(15NH2)13CO2H 分子量: 93.06IUPAC Name: (2S)-2-(15N)azanyl(1,2,3-13C3)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-UVYXLFMMSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1,4+1
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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γ-亚麻酸乙酯CAS号: 31450-14-3 Compound CID : 9883013分子式: C20H34O2 分子量: 306.48IUPAC Name: ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoateSMILES: CCCCCC=CCC=CCC=CCCCCC(=O)OCCInChIKey: MJLYTDAIYLGSRZ-ORZIMQNZSA-NInChI: 1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-
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