| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:02 UTC |
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| Update Date | 2025-03-21 18:35:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105505 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C10H12O7S |
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| Molecular Mass | 276.0304 |
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| SMILES | Cc1cc(CCC(=O)O)cc(OS(=O)(=O)O)c1O |
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| InChI Key | XZDLUYWGIXUZBK-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 oxidesortho cresolsphenolsphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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