| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:45 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226052 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5S |
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| Molecular Mass | 285.0671 |
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| SMILES | CC(=O)NCCSCC(=O)c1c(O)cc(O)cc1O |
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| InChI Key | HVTIYBSUYLUVQU-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 benzenoidsacetamidesacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativephloroglucinol derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacylphloroglucinol derivativesulfenyl compounddialkylthioetherbenzenetriol1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidthioetherphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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