| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:28 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O3S |
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| Molecular Mass | 198.0351 |
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| SMILES | O=C(O)C(CS)Oc1ccccc1 |
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| InChI Key | VQUCVYOGAUAHQK-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsphenol ethersphenoxy compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundalkylthiolorganooxygen compound |
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