| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O2S |
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| Molecular Mass | 180.0245 |
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| SMILES | O=C(O)c1ccc2c(c1)CCS2 |
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| InChI Key | KYYCVNGBMUISAI-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 heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganoheterocyclic compoundsorganooxygen compounds |
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| Substituents | carboxylic acidalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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