| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:30 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO5S |
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| Molecular Mass | 309.0671 |
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| SMILES | CC(=O)NCCc1cccc2cccc(OS(=O)(=O)O)c12 |
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| InChI Key | QONCKNFQTGWOEL-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | acetamidesarylsulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic homopolycyclic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esteracetamideorganooxygen compound |
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