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小分子和化合物库
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雷奈酸锶分子式: C12H6N2O8SSr2 分子量: 513.49IUPAC Name: distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylateSMILES: C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2]InChIKey: XXUZFRDUEGQHOV-UHFFFAOYSA-JInChI: 1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4
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Coralyne chloride分子式: C22H22ClNO4 分子量: 399.87IUPAC Name: 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium;chlorideSMILES: CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-]InChIKey: PDYBUYVOPAJLKP-UHFFFAOYSA-MInChI: 1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1
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柠檬酸钠，二水分子式: C6H5Na3O7·2H2O 分子量: 294.10IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrateSMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]InChIKey: NLJMYIDDQXHKNR-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3
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1,2-二油酰基-sn-甘油-3-磷酸乙醇胺-N-(生物素)(钠盐)CAS号: 384835-53-4 Compound CID : 156593867分子式: C51H92N3NaO10PS 分子量: 993.3SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]InChIKey: BQZBJHZLJJOUSL-AOAFAMOJSA-NInChI: See more
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TUG-424CAS号: 1082058-99-8 Compound CID : 25150014分子式: C18H16O2 分子量: 264.32IUPAC Name: 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acidSMILES: CC1=CC=CC=C1C#CC2=CC=C(C=C2)CCC(=O)OInChIKey: FODHWOBAQBTTFS-UHFFFAOYSA-NInChI: 1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
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(+)-抗坏血酸钠 L分子式: C6H7NaO6 分子量: 198.11IUPAC Name: sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olateSMILES: [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]InChIKey: PPASLZSBLFJQEF-RXSVEWSESA-MInChI: 1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
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D-甘露糖-1-¹³CCAS号: 70849-31-9分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-YILIOCFTSA-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/i6+1
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L-脯氨酸-¹³C₅CAS号: 201740-83-2分子式: C5H9NO2 分子量: 120.09IUPAC Name: (2S)-(2,3,4,5-13C4)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-JRGPAWSWSA-NInChI: 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
