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小分子和化合物库
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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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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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七叶苷（倍半水）CAS号: 66778-17-4 Compound CID : 16211025分子式: C15H16O9 · 1.5H2O 分子量: 367.31IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrateSMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.OInChIKey: CQYPGSKIFJFVDQ-QWFKVUSTSA-NInChI: 1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1
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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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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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D-葡萄糖-3-¹³CCAS号: 287100-64-5分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)(413C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-KTESCNBYSA-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/i4+1
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L-脯氨酸-13CCAS号: 81202-06-4分子式: C5H9NO2 分子量: 116.12IUPAC Name: (2S)-pyrrolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-TXZHAAMZSA-NInChI: 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i5+1
![[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)
