| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O3S |
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| Molecular Mass | 276.0569 |
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| SMILES | O=C(O)C1CSC2=NC(Cc3ccccc3)C(=O)N21 |
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| InChI Key | WLYITSYLMUSZSB-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 | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesimidazolinonesimidazothiazolesisothioureasmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolidines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundimidazothiazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundisothioureaazacycleorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolineimidazolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundthiazolidine |
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