| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:42 UTC |
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| Update Date | 2025-03-21 18:39:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126318 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C12H16N2O7S |
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| Molecular Mass | 332.0678 |
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| SMILES | COc1cc(OS(=O)(=O)O)ccc1NC(=O)CCNC(C)=O |
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| InChI Key | VOAZIAIVMUCXEH-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 | acetamidesalkyl aryl ethersanilidesanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethern-arylamidealkyl aryl etherphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateacetamideorganic sulfuric acid or derivativescarboxamide groupmethoxybenzenebeta amino acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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