| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:56 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO3S |
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| Molecular Mass | 261.046 |
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| SMILES | COc1ccc(C=C2SC(C(C)=O)=NC2=O)cc1 |
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| InChI Key | FORWFOCFLRNMPX-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesketonesmethoxybenzenesn-acyliminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | n-acyliminemonocyclic benzene moietycarbonyl groupethermeta-thiazolinearomatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundmethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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