| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:02 UTC |
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| Update Date | 2025-03-21 17:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019848 |
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| Frequency | 205.1 |
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| Structure | |
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| Chemical Formula | C8H8O6S |
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| Molecular Mass | 232.0042 |
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| SMILES | Cc1cc(C(=O)O)ccc1OS(=O)(=O)O |
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| InChI Key | IPHLELVCALRCJH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidbenzoic acidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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