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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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[1-13C]-α-D-吡喃半乳糖磷酸二钾盐CAS号: 478518-78-4 Compound CID : 90472755分子式: (13-C)C5H11O9PK2 分子量: 337.31IUPAC Name: dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] phosphateSMILES: C(C1C(C(C(C(O1)OP(=O)([O-])[O-])O)O)O)O.[K+].[K+]InChIKey: KCIDZIIHRGYJAE-HLZBLTOGSA-LInChI: 1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3+,4+,5-,6-;;/m1../s1/i6+1;;
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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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D-葡萄糖-2-¹³CCAS号: 105931-74-6分子式: C6H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(313C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-UKLRSMCWSA-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/i5+1
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亚油酸-1-13CCAS号: 98353-71-0分子式: C1713CH32O2 分子量: 281.44IUPAC Name: (9Z,12Z)-(113C)octadeca-9,12-dienoic acidSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OInChIKey: OYHQOLUKZRVURQ-LKLZSCEKSA-NInChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/i18+1
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D-[UL-¹³C6]甘露醇CAS号: 287112-34-9分子式: (13C)6H14O6 分子量: 188.13IUPAC Name: (2R,3R,4R,5R)-(1,2,3,4,5,6-13C6)hexane-1,2,3,4,5,6-hexolSMILES: C(C(C(C(C(CO)O)O)O)O)OInChIKey: FBPFZTCFMRRESA-CRWJSTOYSA-NInChI: 1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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D-葡萄糖-¹³C₆CAS号: 110187-42-3 EC号: 200-075-1 (unlabeled)分子式: 13C6H12O6 分子量: 186.11IUPAC Name: 2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexanalSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-IDEBNGHGSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/i1+1,2+1,3+1,4+1,5+1,6+1
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L-[6-¹³C]岩藻糖CAS号: 478518-51-3 EC号: 219-452-7分子式: 13CC5H12O5 分子量: 165.15IUPAC Name: (3S,4R,5S,6S)-6-(113C)methyloxane-2,3,4,5-tetrolSMILES: CC1C(C(C(C(O1)O)O)O)OInChIKey: SHZGCJCMOBCMKK-BUCMHYPRSA-NInChI: 1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1/i1+1
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丙烯酰胺-¹³C₃CAS号: 287399-26-2分子式: 13C3H5NO 分子量: 74.06IUPAC Name: (1,2,3-13C3)prop-2-enamideSMILES: C=CC(=O)NInChIKey: HRPVXLWXLXDGHG-VMIGTVKRSA-NInChI: 1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)/i1+1,2+1,3+1
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乙酸苯酯-d5CAS号: 22705-26-6分子式: C8H3D5O2 分子量: 141.18IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl) acetateSMILES: CC(=O)OC1=CC=CC=C1InChIKey: IPBVNPXQWQGGJP-VIQYUKPQSA-NInChI: 1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D
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亚麻酸-13C18CAS号: 287111-28-8分子式: (13C)18H30O2 分子量: 296.3IUPAC Name: (9Z,12Z,15Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadeca-9,12,15-trienoic acidSMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OInChIKey: DTOSIQBPPRVQHS-JHNAZIRYSA-NInChI: See more
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盐酸环丙沙星-d8CAS号: 1216659-54-9分子式: C17H11D8ClFN3O3 分子量: 375.85IUPAC Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochlorideSMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.ClInChIKey: DIOIOSKKIYDRIQ-JCYLEXHWSA-NInChI: 1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
![[1-13C]-α-D-吡喃半乳糖磷酸二钾盐](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/A/3/A354212.png)
![D-[UL-¹³C6]甘露醇](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/D/3/D355803.png)
![L-[6-¹³C]岩藻糖](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/L/3/L351545.png)
