| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:50 UTC |
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| Update Date | 2025-03-21 18:33:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095191 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C11H15NO4S |
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| Molecular Mass | 257.0722 |
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| SMILES | CN(C)CCS(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | HFOQPAHFMFKQRY-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 | amino acidsbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfonestrialkylamines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidtertiary aminebenzenesulfonyl grouptertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundsulfone |
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