| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:52 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12N2O4S |
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| Molecular Mass | 316.0518 |
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| SMILES | O=S(=O)(O)c1cccc2cccc(Nc3cccc(O)n3)c12 |
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| InChI Key | SQQJGHWIFGCZMW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compounds2-halopyridinesarylsulfonic acids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspolyhalopyridinessecondary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativespolyhalopyridineorganosulfonic acidorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compound1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinesecondary aminesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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