| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:12 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O3S |
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| Molecular Mass | 248.0507 |
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| SMILES | Cc1ccc(-c2ccc(SCC(=O)O)o2)cc1 |
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| InChI Key | YQCKMGKIFPZCAT-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 | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioetherscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfenyl compoundstoluenes |
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| Substituents | furanmonocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compoundalkylarylthioethercarboxylic acid derivativearyl thioetheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidtolueneorganoheterocyclic compoundorganooxygen compound |
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