| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:21 UTC |
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| Update Date | 2025-03-25 00:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236372 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2S |
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| Molecular Mass | 224.0871 |
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| SMILES | CSc1ccc(C(C)(C)C)cc1C(=O)O |
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| InChI Key | SHFLZUIELHJRNP-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 |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanessulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | carboxylic acidbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherphenylpropaneorganic oxidethiophenolo-sulfanylbenzoic acidthiophenol ether1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous thioestersulfenyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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