| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O3S |
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| Molecular Mass | 212.0507 |
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| SMILES | CSc1cccc(CC(O)C(=O)O)c1 |
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| InChI Key | FOLFKPSTXIKYQH-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 | alkylarylthioethersalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compound3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol ethersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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