| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O3S |
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| Molecular Mass | 196.0194 |
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| SMILES | O=C(O)C(=O)Cc1ccccc1S |
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| InChI Key | MWVMHXNKBWNLCB-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidsthiolsthiophenols |
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| Substituents | carbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidarylthiolorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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