| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:16 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O5S |
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| Molecular Mass | 292.0405 |
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| SMILES | Cc1ccccc1OS(=O)(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | SUALVMNFWFGYRR-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | arylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate estercarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxidebenzoic acidbenzenesulfonyl groupbenzoic acid or derivativesorganosulfonic acid esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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