| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:45 UTC |
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| Update Date | 2025-03-25 01:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O7S |
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| Molecular Mass | 226.0147 |
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| SMILES | CC(O)CC(=O)CC(=O)OS(=O)(=O)O |
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| InChI Key | VWCCLKLLYAEVMT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta-hydroxy ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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