| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:28 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO5S2 |
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| Molecular Mass | 305.0392 |
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| SMILES | NC(CCc1ccccc1CSS(=O)(=O)O)C(=O)O |
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| InChI Key | PAEKAHVAJYMFHM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundss-alkyl thiosulfatessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compounds-alkyl thiosulfatearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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