| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:05 UTC |
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| Update Date | 2025-03-21 18:00:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029198 |
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| Frequency | 128.2 |
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| Structure | |
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| Chemical Formula | C9H8O7S |
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| Molecular Mass | 259.9991 |
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| SMILES | O=C(O)C(=O)Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | WFHBSSNISZJTGQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylsulfateorganic oxidealpha-keto acidarylsulfateorganic sulfuric acid or derivativesphenylpyruvatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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