小分子和化合物库
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硬脂酸-13C18CAS号: 287100-83-8 Compound CID : 16217539分子式: (¹³C)18H36O2 分子量: 302.35IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadecanoic acidSMILES: CCCCCCCCCCCCCCCCCC(=O)OInChIKey: QIQXTHQIDYTFRH-HXPQJNGISA-NInChI: 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
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氧化苏木精分子式: C16H12O6 分子量: 300.26IUPAC Name: 4,6a,9,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-3-oneSMILES: C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)OInChIKey: HNNSUZPWERIYIL-UHFFFAOYSA-NInChI: 1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,18-21H,5-6H2
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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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