| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:59 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098057 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C10H12O6S |
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| Molecular Mass | 260.0355 |
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| SMILES | CC(C(=O)O)c1ccc(COS(=O)(=O)O)cc1 |
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| InChI Key | NQWSRVLIYJBELS-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 | alkyl sulfatesaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidessulfuric acid monoesters |
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| Substituents | monoterpenoidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupmonocyclic monoterpenoidcarboxylic acidorganic sulfuric acid or derivativesp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaromatic monoterpenoid |
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