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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
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普伐他汀内酯CAS号 : 85956-22-5 Compound CID : 9931182分子式: C23H34O6 分子量: 406.51IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)OInChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-NInChI: InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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LYG-202CAS号 : 1175077-25-4 Compound CID : 44156930分子式: C25H30N2O5 分子量: 438.52IUPAC Name: 5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-oneSMILES: CN1CCN(CC1)CCCCOC2=C(C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)OCInChIKey: ICGYSEWPMDWBIL-UHFFFAOYSA-NInChI: InChI=1S/C25H30N2O5/c1-26-11-13-27(14-12-26)10-6-7-15-31-22-17-20(29)23-19(28)16-21(18-8-4-3-5-9-18)32-25(23)24(22)30-2/h3-5,8-9,16-17,29H,6-7,10-15H2,1-2H3
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肉豆蔻酸-1-（¹³C）CAS号 : 57677-52-8 Compound CID : 16213484分子式: C13(13C)H28O2 分子量: 229.36IUPAC Name: (113C)tetradecanoic acidSMILES: CCCCCCCCCCCCCC(=O)OInChIKey: TUNFSRHWOTWDNC-UJKGMGNHSA-NInChI: InChI=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 Compound CID : 5283731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: InChI=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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L-赖氨酸-¹³C₆盐酸盐CAS号 : 1228077-86-8 Compound CID : 16217566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: InChI=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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叶酸-(谷氨酸-¹³C₅)CAS号 : 1207282-75-4 Compound CID : 136219943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: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/i5+1,6+1,12+1,13+1,18+1
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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
