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DL-异柠檬酸三钠盐 水合物分子式: C6H5O7Na3·xH2O 分子量: 258.07 (anhydrous basis)IUPAC Name: trisodium;1-hydroxypropane-1,2,3-tricarboxylateSMILES: C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]InChIKey: HWMVXEKEEAIYGB-UHFFFAOYSA-KInChI: InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
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胆固醇壬酸酯分子式: C36H62O2 分子量: 526.89IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoateSMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: WCLNGBQPTVENHV-MKQVXYPISA-NInChI: InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
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NADPH,辅酶CAS号 : 2646-71-1分子式: C21H26N7Na4O17P3 · xH2O 分子量: 833.35 (anhydrous basis)IUPAC Name: tetrasodium;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphateSMILES: [Na+].[Na+].[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@H]2O[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@H](O)[C@@H]2OInChIKey: WYWWVJHQDVCHKF-ITGWJZMWSA-JInChI: InChI=1S/C21H30N7O17P3.4Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4/t10-,11-,13-,14-,15-,16-,20-,21-;;;;/m1..../s1
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D-（-）-3-磷酸甘油二钠盐CAS号 : 80731-10-8 Compound CID : 16219906分子式: C3H5O7P・2Na 分子量: 230.02IUPAC Name: disodium;(2R)-2-hydroxy-3-[hydroxy(oxido)phosphoryl]oxypropanoateSMILES: [Na+].[Na+].O[C@H](COP(O)([O-])=O)C([O-])=OInChIKey: RGCJWQYUZHTJBE-YBBRRFGFSA-LInChI: InChI=1S/C3H7O7P.2Na/c4-2(3(5)6)1-10-11(7,8)9;;/h2,4H,1H2,(H,5,6)(H2,7,8,9);;/q;2*+1/p-2/t2-;;/m1../s1
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棕榈酸-d31CAS号 : 39756-30-4 Compound CID : 16212358分子式: C16D31HO2 分子量: 287.62IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-NInChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
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苯乙醛酸-d5CAS号 : 1217089-53-6 Compound CID : 46782741分子式: C8HD5O3 分子量: 155.16IUPAC Name: 2-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acidSMILES: C1=CC=C(C=C1)C(=O)C(=O)OInChIKey: FAQJJMHZNSSFSM-RALIUCGRSA-NInChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)/i1D,2D,3D,4D,5D
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4-羟基雌酮-d4CAS号 : 81586-98-3 Compound CID : 71749017分子式: C18H18D4O3 分子量: 290.39IUPAC Name: (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-oneSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)OInChIKey: XQZVQQZZOVBNLU-RFZGAVBWSA-NInChI: InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
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异绿原酸BCAS号 : 14534-61-3 Compound CID : 5281780分子式: C25H24O12 分子量: 516.46IUPAC Name: (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acidSMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OInChIKey: UFCLZKMFXSILNL-PSEXTPKNSA-NInChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
