| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:31 UTC |
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| Update Date | 2025-03-21 18:06:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061059 |
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| Frequency | 51.1 |
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| Structure | |
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| Chemical Formula | C11H13NO2S |
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| Molecular Mass | 223.0667 |
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| SMILES | COc1ccc(C2SCC(=O)N2C)cc1 |
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| InChI Key | PURQVLJNJNMXCK-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 compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesthiazolidines |
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| Substituents | monocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundthiazolidine |
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