| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:12 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176675 |
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| Frequency | 0.5 |
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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 | COC(=O)CNS(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | ZOWMDAHNZAIHGK-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary amines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganosulfur compoundorganosulfonic acid amideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamidealpha-amino acid esteraminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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