| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:13 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240605 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O7S |
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| Molecular Mass | 259.9991 |
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| SMILES | CC(=O)c1cc(C(=O)OS(=O)(=O)O)ccc1O |
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| InChI Key | MBRUABVRNRIOQN-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 benzenoidsacetophenonesaryl alkyl ketonesbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesacetophenonephenolhydrocarbon derivativebenzenoidsulfuric acid esteralkyl-phenylketone |
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