| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:32 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6S |
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| Molecular Mass | 263.0464 |
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| SMILES | NC(Cc1ccccc1O[SH](=O)(O)O)C(=O)O |
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| InChI Key | BCQIYKYOVWESQZ-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 derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundamphetamine or derivatives |
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