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油酸-d17CAS号: 223487-44-3分子式: C18H17D17O2 分子量: 299.57IUPAC Name: (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-DUGYPAGXSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
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Mafosfamide Sodium SaltCAS号: 84211-05-2分子式: C9H18Cl2N2NaO5PS2 分子量: 423.25IUPAC Name: 2-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acidSMILES: C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCClInChIKey: PBUUPFTVAPUWDE-UHFFFAOYSA-NInChI: 1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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普罗布考-丙酰基-¹³C3CAS号: 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
