| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:57:15 UTC |
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| Update Date | 2025-03-21 23:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00620917 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C7H6OS |
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| Molecular Mass | 138.0139 |
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| SMILES | O=CSc1ccccc1 |
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| InChI Key | ITJOOMDVHPTIRB-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 | thiophenol esters |
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| Subclass | thiophenol esters |
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| Direct Parent | thiophenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl thioethersbenzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsthioestersthiolactonesthiophenols |
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| Substituents | monocyclic benzene moietythiophenol esterthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativearyl thioethercarbothioic s-esteraromatic homomonocyclic compoundorganic oxidethiophenolorganic oxygen compoundhydrocarbon derivativethiolactoneorganooxygen compound |
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