| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:32 UTC |
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| Update Date | 2025-03-21 18:33:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094468 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C11H14N2O7S |
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| Molecular Mass | 318.0522 |
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| SMILES | Nc1ccc(S(=O)(=O)N(CC(=O)O)CC(O)C(=O)O)cc1 |
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| InChI Key | YLGJUXGCDOWFFJ-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidmonosaccharidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundhydroxy acidaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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