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1-油酰基-2-羟基-sn-甘油-3-磷酸-(1'-rac-甘油)(钠盐)CAS号: 326495-24-3 Compound CID : 131877805分子式: C24H46O9PNa 分子量: 532.58SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O.[Na]InChIKey: OGNWFUWCKLVNBU-AXFOVFEGSA-NInChI: 1S/C24H47O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25;/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30);/b10-9-;/t22?,23-;/m1./s1
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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肉豆蔻酸-1-（¹³C）CAS号: 57677-52-8 EC号: 208-875-2 (unlabeled)分子式: C13(13C)H28O2 分子量: 229.36IUPAC Name: (113C)tetradecanoic acidSMILES: CCCCCCCCCCCCCC(=O)OInChIKey: TUNFSRHWOTWDNC-UJKGMGNHSA-NInChI: 1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i14+1
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25-羟基维生素D₃-23,24,25,26,27-¹³C₅溶液CAS号: 19356-17-3分子式: C27H44O2 分子量: 400.64IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: JWUBBDSIWDLEOM-DTOXIADCSA-NInChI: 1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
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4-氧代-5-苯基戊酸CAS号: 3183-15-1分子式: C11H12O3 分子量: 192.21IUPAC Name: 4-oxo-5-phenylpentanoic acidSMILES: C1=CC=C(C=C1)CC(=O)CCC(=O)OInChIKey: LTNSOYZGFPWHOF-UHFFFAOYSA-NInChI: 1S/C11H12O3/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
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7-羟基-6-甲氧基二氢黄酮醇CAS号: 34050-66-3分子式: C16H14O5 分子量: 286.28IUPAC Name: (2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=C2C(=C1)C(=O)C(C(O2)C3=CC=CC=C3)O)OInChIKey: GUMFPOIJOXLCLA-JKSUJKDBSA-NInChI: 1S/C16H14O5/c1-20-13-7-10-12(8-11(13)17)21-16(15(19)14(10)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1
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L-赖氨酸-¹³C₆盐酸盐CAS号: 1228077-86-8分子式: H2N(13CH2)413CH(NH2)13CO2H·HCl 分子量: 188.6IUPAC Name: (2S)-2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid;hydrochlorideSMILES: C(CCN)CC(C(=O)O)N.ClInChIKey: BVHLGVCQOALMSV-BOBMYJBMSA-NInChI: 1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1;
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亚精胺-(丁基-¹³C₄)三盐酸盐CAS号: 1313734-84-7 Compound CID : 71311067分子式: NH2(CH2)3NH(13CH2)4NH2 · 3HCl 分子量: 258.6IUPAC Name: N'-(3-aminopropyl)(1,2,3,4-13C4)butane-1,4-diamine;trihydrochlorideSMILES: C(CCNCCCN)CN.Cl.Cl.ClInChIKey: LCNBIHVSOPXFMR-GOOBRNBHSA-NInChI: 1S/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9;;;/h10H,1-9H2;3*1H/i1+1,2+1,4+1,6+1;;;
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叶酸-(谷氨酸-¹³C₅)CAS号: 1207282-75-4分子式: 13C5C14H19N7O6 分子量: 446.36IUPAC Name: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino](1,2,3,4,5-13C5)pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-BCTWCYHZSA-NInChI: See more
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头骨黄酮IICAS号: 55084-08-7 Compound CID : 124211分子式: C19H18O8 分子量: 374.34IUPAC Name: 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-oneSMILES: COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OInChIKey: GMQFOKBGMKVUQZ-UHFFFAOYSA-NInChI: 1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
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奇普卡辛DCAS号: 948574-00-3分子量: 422.39SMILES: O=C(C1=C(C=C(C=C1C)OC)OC)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N(C(N3)=O)C=CC3=O)COInChIKey: LQYPUZKOEZWGBX-BASLNEPJSA-NInChI: 1S/C19H22N2O9/c1-9-6-10(27-2)7-11(28-3)14(9)18(25)30-16-12(8-22)29-17(15(16)24)21-5-4-13(23)20-19(21)26/h4-7,12,15-17,22,24H,8H2,1-3H3,(H,20,23,26)/t12-,15-,16-,17-/m1/s1
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撇脂分子式: C15H16O8 分子量: 324.28IUPAC Name: 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneSMILES: C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)OInChIKey: VPAOSFFTKWUGAD-TVKJYDDYSA-NInChI: 1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1
