| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:01 UTC |
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| Update Date | 2025-03-21 17:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024345 |
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| Frequency | 160.3 |
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| Structure | |
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| Chemical Formula | C9H11NO5S |
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| Molecular Mass | 245.0358 |
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| SMILES | O=C(O)C(Cc1ccccc1)NS(=O)(=O)O |
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| InChI Key | DRGGXKBXWTYBLE-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssulfuric acid monoamides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsulfuric acid monoamideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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