| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:51 UTC |
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| Update Date | 2025-03-21 17:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023942 |
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| Frequency | 163.4 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | Nc1ccccc1C(=O)CC(=O)OS(=O)(=O)O |
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| InChI Key | LFUJURGQNHSYGL-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 | amino 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 derivativesbenzoylcarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideorganic sulfuric acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundsulfuric acid esteraminealkyl-phenylketone |
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