| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:10 UTC |
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| Update Date | 2025-03-21 18:36:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110749 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C14H17NO5S |
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| Molecular Mass | 311.0827 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | GPFGCZUDIGEGTL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolinessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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