| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:30 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O5S |
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| Molecular Mass | 322.0623 |
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| SMILES | NC(=O)Cc1ccc(Nc2ccc(OS(=O)(=O)O)cc2)cc1 |
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| InChI Key | XPNLMIXVVXTBEC-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 | amino acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessecondary aminessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietysulfuric acid monoestercarbonyl groupamino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidesecondary aminecarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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