| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:46 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O5S |
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| Molecular Mass | 242.0249 |
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| SMILES | O=C(CC(S)C(=O)O)c1ccc(O)cc1O |
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| InChI Key | ZUHLLKUCLGEALM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylthiolsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsresorcinolsthia fatty acidsvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeresorcinolorganic oxidehydroxy fatty acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesthia fatty acidketo acidphenolhydrocarbon derivativebenzenoidalkylthiolalkyl-phenylketone |
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