| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:58 UTC |
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| Update Date | 2025-03-25 00:48:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO5S |
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| Molecular Mass | 259.0514 |
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| SMILES | CCCNC(=O)c1ccccc1OS(=O)(=O)O |
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| InChI Key | DLOCBJITNNKPCZ-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 homomonocyclic compounds |
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| Alternative Parents | benzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoylbenzoic acid or derivativescarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundphenylsulfatesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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