| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:48 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O6S |
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| Molecular Mass | 288.0416 |
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| SMILES | Nc1ccccc1C(=O)NC(CS(=O)(=O)O)C(=O)O |
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| InChI Key | HHCZBBCRBOKHGZ-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 | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessecondary carboxylic acid amidessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfonic acidbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesvinylogous amiden-acyl-alpha-amino acidhippuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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