| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:37 UTC |
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| Update Date | 2025-03-21 18:30:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080516 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C9H12N2O4S |
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| Molecular Mass | 244.0518 |
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| SMILES | Nc1ccc(S(=O)(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | GDBSUWIOYZHIEI-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 | amino acidsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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