| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:56 UTC |
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| Update Date | 2025-03-21 18:01:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031168 |
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| Frequency | 118.5 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | CC(C(=O)O)c1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | MUMSABXMTZYCIH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidsulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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