| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:11 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181253 |
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| Frequency | 0.5 |
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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)CN1CSc2ccccc21 |
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| InChI Key | WFRJONBKGQRZAS-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 heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazoles |
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| Substituents | carbonyl groupcarboxylic acidalkylarylthioetheraryl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidbenzo-thiazoleorganopnictogen compounddialkylarylamineorganoheterocyclic compound1,3-benzothiazoleazacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundthiazoleorganooxygen compound |
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