| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:37 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3S |
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| Molecular Mass | 237.046 |
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| SMILES | O=C(O)C1CSC(Cc2cccc(O)c2)=N1 |
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| InChI Key | GKURQGVXLCXWAL-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidmeta-thiazolinearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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