| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:26 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO3S |
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| Molecular Mass | 223.0303 |
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| SMILES | O=C(O)C1=CSC(c2ccc(O)cc2)N1 |
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| InChI Key | FKNHLUAJUWNLLH-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 benzenoidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiazolecarboxylic acids and derivativesthiazolinesthioenol ethersvinylogous thioesters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidmeta-thiazolinearomatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidthiazolecarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous thioestersecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundthiazoleorganooxygen compoundamine |
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