| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:29 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O4S |
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| Molecular Mass | 304.0769 |
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| SMILES | Cc1ccc(C)c(CS(=O)(=O)c2ccc(C(=O)O)cc2)c1 |
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| InChI Key | JNVOPYKQNIPEMF-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 |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzenesulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfonesp-xylenes |
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| Substituents | carboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesp-xylenesulfonylorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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