| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:38 UTC |
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| Update Date | 2025-03-21 17:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023433 |
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| Frequency | 167.7 |
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| Structure | |
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| Chemical Formula | C9H9NO7S |
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| Molecular Mass | 275.01 |
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| SMILES | Nc1c(O)cccc1C(=O)CC(=O)OS(=O)(=O)O |
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| InChI Key | CKYKMRFDONQYMN-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 benzenoidsamino acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfuric acid monoestersvinylogous amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketoneamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundsulfuric acid esteraminealkyl-phenylketone |
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