| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:17 UTC |
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| Update Date | 2025-03-21 18:41:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134697 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C10H10O7S |
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| Molecular Mass | 274.0147 |
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| SMILES | O=C(CC(C(=O)O)c1ccccc1)OS(=O)(=O)O |
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| InChI Key | UMPXIYQAVJLBKS-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compound |
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