| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:09 UTC |
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| Update Date | 2025-03-21 18:29:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076937 |
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| Frequency | 38.2 |
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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 | CSc1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | PNZHNMAQOXAGGD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compound2-phenylpropanoic-acidthioetherthiophenol etherhydrocarbon derivativebenzenoidorganooxygen compound |
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