| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:38 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClO3S |
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| Molecular Mass | 260.0274 |
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| SMILES | O=C(O)CCSCCOc1ccc(Cl)cc1 |
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| InChI Key | NLJRWJDPZVQCKR-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compoundssulfenyl compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridealkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzenesulfenyl compounddialkylthioetheraryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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