| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:04 UTC |
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| Update Date | 2025-03-21 17:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008608 |
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| Frequency | 568.4 |
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| Structure | |
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| Chemical Formula | C8H8O2S |
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| Molecular Mass | 168.0245 |
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| SMILES | CSc1ccc(C(=O)O)cc1 |
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| InChI Key | KWHCPERWLHBLOT-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carboxylic acidsulfenyl compoundbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativep-sulfanylbenzoic acidaryl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol etherhydrocarbon derivativebenzoic acidorganooxygen compound |
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