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亚甲基蓝分子式: C16H18ClN3S 分子量: 319.85IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-MInChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
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盐酸金霉素分子式: C22H23ClN2O8·HCL 分子量: 515.34IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: Cl.CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)OInChIKey: QYAPHLRPFNSDNH-MRFRVZCGSA-NInChI: InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
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卵磷脂CAS号 : 8002-43-5分子式: C42H80NO8P 分子量: 758.06IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)CInChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-NInChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
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N-(9-环丙基-1-氧代壬基)-N-羟基-β-丙氨酸CAS号 : 1453071-47-0 Compound CID : 71735843分子式: C15H27NO4 分子量: 285.38IUPAC Name: 3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acidSMILES: C1CC1CCCCCCCCC(=O)N(CCC(=O)O)OInChIKey: NEHSERYKENINRH-UHFFFAOYSA-NInChI: InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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双(2-乙己基)磺基丁二酸钠分子式: C20H37NaO7S 分子量: 444.56IUPAC Name: sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonateSMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]InChIKey: APSBXTVYXVQYAB-UHFFFAOYSA-MInChI: InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
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胆绿素分子式: C33H34N4O6 分子量: 582.65IUPAC Name: 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acidSMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)OInChIKey: RCNSAJSGRJSBKK-NSQVQWHSSA-NInChI: InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-
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蔗糖铁分子式: C18H24Fe2O24 分子量: 736.06IUPAC Name: iron(3+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Fe+3].[Fe+3]InChIKey: ADQSUDSYBZBMFT-GFPJEPEZSA-HInChI: InChI=1S/3C6H10O8.2Fe/c3*7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h3*1-4,7-10H,(H,11,12)(H,13,14);;/q;;;2*+3/p-6/t3*1-,2-,3-,4+;;/m000../s1
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(+)-瓦伦亚烯分子式: C15H24 分子量: 204.35IUPAC Name: (3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthaleneSMILES: CC1CCC=C2C1(CC(CC2)C(=C)C)CInChIKey: QEBNYNLSCGVZOH-NFAWXSAZSA-NInChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
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Gamma-glutamylcysteine TFACAS号 : 283159-88-6 Compound CID : 139035037分子式: C10H15F3N2O7S 分子量: 364.30IUPAC Name: (2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acidSMILES: C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N.C(=O)(C(F)(F)F)OInChIKey: WBAPFIMTGPKLNF-FHAQVOQBSA-NInChI: InChI=1S/C8H14N2O5S.C2HF3O2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-2(4,5)1(6)7/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);(H,6,7)/t4-,5-;/m0./s1
