| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:27 UTC |
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| Update Date | 2025-03-21 18:39:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125745 |
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| Frequency | 20.4 |
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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)Cc1ccccc1C(=O)OS(=O)(=O)O |
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| InChI Key | GRRQCKXXIJRRRK-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compound |
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