| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:23 UTC |
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| Update Date | 2025-03-25 00:53:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4S |
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| Molecular Mass | 254.0613 |
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| SMILES | CS(=O)OC(=O)CCC(=O)Cc1ccccc1 |
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| InChI Key | LFGQTGMOKZAKQR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkanesulfinic acids and derivativesbenzene and substituted derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfinic acid derivativeorganosulfur compoundcarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundalkanesulfinic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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