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3-乙酰吡啶腺嘌呤二核苷酸,还原型(APADH)CAS号 : 102029-93-6 Compound CID : 133112706分子式: C22H28N6O14P2・Na2 分子量: 708.4IUPAC Name: disodium;[[5-(3-acetyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphateSMILES: CC(=O)C1=CN(C=CC1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+]InChIKey: MVUPSUBZLWXBQB-UHFFFAOYSA-LInChI: InChI=1S/C22H30N6O14P2.2Na/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28;;/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25);;/q;2*+1/p-2
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D-肌醇-1-单磷酸双(环己基铵)盐CAS号 : 106032-59-1 Compound CID : 71308517分子式: C₆H₁₃O₉P・2C₆H13N 分子量: 458.48IUPAC Name: cyclohexanamine;[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphateSMILES: C1CCC(CC1)N.C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OInChIKey: CIDVDWGHBSYGCB-MDRKMWFQSA-NInChI: InChI=1S/C6H13N.C6H13O9P/c7-6-4-2-1-3-5-6;7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h6H,1-5,7H2;1-11H,(H2,12,13,14)/t;1?,2-,3+,4-,5-,6?/m.1/s1
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烟酰胺次黄嘌呤二核苷酸钠盐CAS号 : 104809-38-3 Compound CID : 136663121分子式: C₂₁H₂₆N₆O₁₅P₂・xNaIUPAC Name: sodium;[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphateSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CNC5=O)O)O)O)C(=O)N.[Na+]InChIKey: QNMOYFWBERFQAR-QYZPTAICSA-MInChI: InChI=1S/C21H26N6O15P2.Na/c22-17(32)9-2-1-3-26(4-9)20-15(31)16(10(5-28)39-20)41-44(36,37)42-43(34,35)38-6-11-13(29)14(30)21(40-11)27-8-25-12-18(27)23-7-24-19(12)33;/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
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酚酞二磷酸四钠盐CAS号 : 68807-90-9 Compound CID : 3085390分子式: C20H12O10P2Na4 分子量: 566.21IUPAC Name: tetrasodium;[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate;dihydrateSMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].O.O.[Na+].[Na+].[Na+].[Na+]InChIKey: QYFYAAPDTZOYPC-UHFFFAOYSA-JInChI: InChI=1S/C20H16O10P2.4Na.2H2O/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;;2*1H2/q;4*+1;;/p-4
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(E,Z)-他莫昔芬N-β-D-葡糖醛酸CAS号 : 794450-92-3 Compound CID : 91927707分子式: C32H38NO7 分子量: 548.65IUPAC Name: [(2R,3S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethylazaniumSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[N+](C)(C)C3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=CC=C4InChIKey: UKFQQYJAYUAYES-TUAUMCCMSA-OInChI: InChI=1S/C32H37NO7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)39-20-19-33(2,3)31-29(36)27(34)28(35)30(40-31)32(37)38/h5-18,27-31,34-36H,4,19-20H2,1-3H3/p+1/b26-25-/t27-,28-,29-,30?,31+/m0/s1
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D-(+)-麦芽糖一水合物分子式: C12H22O11•H2O 分子量: 360.31IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrateSMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.OInChIKey: HBDJFVFTHLOSDW-DNDLZOGFSA-NInChI: InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
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双丙酮-D-甘露糖醇分子式: C12H22O6 分子量: 262.3IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diolSMILES: CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)CInChIKey: ODYBCPSCYHAGHA-ZYUZMQFOSA-NInChI: InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
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寡霉素分子式: C45H74O11 分子量: 791.07(for Oligomycin A)IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trioneSMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)CInChIKey: MNULEGDCPYONBU-WMBHJXFZSA-NInChI: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1