| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:58 UTC |
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| Update Date | 2025-03-25 00:53:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O7S |
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| Molecular Mass | 344.0678 |
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| SMILES | CC(=O)NC(CCNS(=O)(=O)c1ccc(C(=O)O)cc1)C(=O)O |
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| InChI Key | JRFWQGNDYKPRLD-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidacetamidebenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundn-acyl-alpha-amino acidbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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