| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:15 UTC |
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| Update Date | 2025-03-21 18:41:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136896 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C12H11NO5S |
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| Molecular Mass | 281.0358 |
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| SMILES | CC(=O)Nc1cccc2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | VDZKVKXFBSDYKS-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 derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesn-acetylarylaminen-arylamidearomatic homopolycyclic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esteracetamideorganooxygen compound |
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