| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:44 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5S |
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| Molecular Mass | 282.0562 |
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| SMILES | O=C(O)C(=O)CCCSCc1ccccc1C(=O)O |
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| InChI Key | MGZBKPGBKJYQSS-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoyl derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherbenzoylorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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