| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:10 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | CC(C(=O)O)c1ccccc1S(C)(=O)=O |
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| InChI Key | FIRVXWMQDWDMIE-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 | benzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundsulfonebenzenesulfonyl group |
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