| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:53 UTC |
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| Update Date | 2025-03-21 18:41:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133815 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C12H17N3O6S |
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| Molecular Mass | 331.0838 |
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| SMILES | Nc1ccc(S(=O)(=O)N(CCC(N)C(=O)O)CC(=O)O)cc1 |
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| InChI Key | RACBYHGPBFRJIR-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 acidsamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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