| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:10 UTC |
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| Update Date | 2025-03-21 18:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129846 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C17H15NO3S |
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| Molecular Mass | 313.0773 |
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| SMILES | COS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 |
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| InChI Key | JWDNKOUQJWMMQB-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-naphthalene sulfonatesarylsulfonic acids and derivativesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterssecondary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic homopolycyclic compoundsecondary amineorganosulfur compound1-naphthalene sulfonic acid or derivativesorganosulfonic acid ester1-naphthalene sulfonateorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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