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Molecular weight: 748.66
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Iso. SMILES:
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C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=COC5=CC(=C(C=C5C4=O)O)O)C(=O)O)CSC6=NN=NN6CC(=O)O.[Na+]
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InChI Key:
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KBEFTEIZDFHDJP-UHFFFAOYSA-N
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Can. SMILES:
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C1=C(C=CC(=C1)O)C(C(=O)NC2C(=O)N3C(=C(CSC23)CSC4=NN=NN4CC(=O)O)C(=O)O)NC(=O)C5=COC6=C(C=C(C(=C6)O)O)C5=O.[Na+]
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InChI:
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InChI=1S/C29H23N7O12S2.Na/c37-13-3-1-11(2-4-13)20(30-24(43)15-8-48-18-6-17(39)16(38)5-14(18)23(15)42)25(44)31-21-26(45)36-22(28(46)47)12(9-49-27(21)36)10-50-29-32-33-34-35(29)7-19(40)41;/h1-6,8,20-21,27,37-39H,7,9-10H2,(H,30,43)(H,31,44)(H,40,41)(H,46,47);/q;+1
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