| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:02 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3S |
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| Molecular Mass | 253.0773 |
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| SMILES | COc1ccc(C2SCC(=O)N2CCO)cc1 |
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| InChI Key | ZTUQJURQPJCOEV-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 | alcohols and polyolsalkanolaminesalkyl 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 compoundalkanolaminealcoholazacycledialkylthioethercarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundthiazolidine |
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