| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:52 UTC |
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| Update Date | 2025-03-21 18:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035820 |
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| Frequency | 99.2 |
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| Structure | |
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| Chemical Formula | C16H13NO3S |
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| Molecular Mass | 299.0616 |
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| SMILES | O=S(=O)(O)c1ccc2cccc(Nc3ccccc3)c2c1 |
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| InChI Key | RBCRBKCMJJQRDD-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 | 2-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds2-naphthalene sulfonatesarylsulfonic acids and derivativesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compoundsecondary amine2-naphthalene sulfonic acid or derivativesorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound2-naphthalene sulfonateamine |
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