| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:21 UTC |
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| Update Date | 2025-03-21 18:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103858 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C11H14N2O6S |
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| Molecular Mass | 302.0573 |
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| SMILES | CC(=O)NCCC(=O)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | XOLUHCBJIGQPDH-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-arylamidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateacetamideorganic sulfuric acid or derivativescarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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