| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:39 UTC |
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| Update Date | 2025-03-21 17:58:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014656 |
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| Frequency | 300.4 |
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| Structure | |
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| Chemical Formula | C16H13NO4S |
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| Molecular Mass | 315.0565 |
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| SMILES | O=S(=O)(O)c1cccc2cccc(Nc3ccc(O)cc3)c12 |
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| InChI Key | OHBINKMYGZPORO-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 homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compound1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsecondary aminesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatephenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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