| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:30 UTC |
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| Update Date | 2025-03-21 18:02:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037403 |
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| Frequency | 94.2 |
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| Structure | |
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| Chemical Formula | C8H6O7S |
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| Molecular Mass | 245.9834 |
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| SMILES | O=C(O)c1ccc(C(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | KOWBOXIUALEECZ-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 | p-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidsulfuric acid esterorganooxygen compoundpara_phthalic_acid |
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