| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:48 UTC |
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| Update Date | 2025-03-21 18:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035659 |
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| Frequency | 99.8 |
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| Structure | |
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| Chemical Formula | C8H4O2S |
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| Molecular Mass | 163.9932 |
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| SMILES | O=C1Sc2ccccc2C1=O |
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| InChI Key | MHESOLAAORBNPM-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 | aryl ketonesbenzenoidscarbothioic s-lactonescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesthioestersthiolactones |
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| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupthiocarboxylic acid estercarboxylic acid derivativearyl thioetherketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidthiolactoneorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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