| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:31 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221052 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9ClO2S |
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| Molecular Mass | 264.0012 |
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| SMILES | O=C(O)c1ccc(Sc2ccc(Cl)cc2)cc1 |
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| InChI Key | UWLBXSFDJVORCM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | diarylthioethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsp-sulfanylbenzoic acidssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietycarboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxidethiophenolthiophenol etherbenzoic aciddiarylthioetheraryl chloridechlorobenzenesulfenyl compoundbenzoic acid or derivativesp-sulfanylbenzoic acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-sulfanylbenzoic acid or derivativeshydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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