| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:29 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO2S |
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| Molecular Mass | 249.0824 |
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| SMILES | Cc1ccc(C2N=C(CCC(=O)O)CS2)cc1 |
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| InChI Key | WGHDPBAZRWADDD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolinearomatic heteromonocyclic compoundiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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