| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:58 UTC |
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| Update Date | 2025-03-21 18:38:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122291 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C8H9NO3S |
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| Molecular Mass | 199.0303 |
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| SMILES | CC(=O)c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | CSATVXJBGFVJES-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesaminosulfonyl compoundsaryl alkyl ketonesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativeshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganooxygen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietybenzenesulfonamidearyl alkyl ketoneaminosulfonyl compoundbenzoylorganosulfur compoundorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic sulfonic acid or derivativesacetophenonehydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketonebenzenesulfonyl group |
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