| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:31 UTC |
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| Update Date | 2025-03-21 18:39:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123522 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C9H9NO2S |
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| Molecular Mass | 195.0354 |
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| SMILES | O=C(O)CNC(=S)c1ccccc1 |
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| InChI Key | WMSSBLAAUOSDQG-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioamidesthiocarbonyl compoundsthiocarboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidthiocarboxylic acid amidethiocarbonyl grouporganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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