| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:49 UTC |
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| Update Date | 2025-03-21 18:35:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105001 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C10H14N2O3S |
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| Molecular Mass | 242.0725 |
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| SMILES | Nc1ccccc1S(=O)CCC(N)C(=O)O |
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| InChI Key | MMMNGSUBZXLTJC-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 acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenyl sulfoxidessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidephenyl sulfoxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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