| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:49 UTC |
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| Update Date | 2025-03-21 18:33:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097607 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C12H15NO4S2 |
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| Molecular Mass | 301.0442 |
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| SMILES | CCN(CC)C(=S)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | ULZGMVQEBDRGEO-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 oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfones |
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| Substituents | carboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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