| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:45 UTC |
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| Update Date | 2025-03-21 18:36:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112159 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C10H12O2S |
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| Molecular Mass | 196.0558 |
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| SMILES | CCOC(=O)c1ccccc1SC |
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| InChI Key | JMIMEGUMLPEMLS-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-sulfanylbenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | vinylogous thioestersulfenyl compoundbenzoylbenzoate esteralkylarylthioetherorganosulfur compoundcarboxylic acid derivativeo-sulfanylbenzoic acid or derivativesaryl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol ethercarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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