| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:30 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O3S |
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| Molecular Mass | 260.0507 |
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| SMILES | O=C(O)c1cccc(O)c1CSc1ccccc1 |
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| InChI Key | JLNIYPFBHHKKOJ-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol ether1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenolhydrocarbon derivativeorganooxygen compound |
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