| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:34 UTC |
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| Update Date | 2025-03-21 18:34:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101904 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C9H10O5S |
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| Molecular Mass | 230.0249 |
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| SMILES | Cc1cccc(C)c1C(=O)OS(=O)(=O)O |
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| InChI Key | NPQLYAWQMBDFHK-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 derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoestersm-xylenes |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesm-xylenebenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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