| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:59 UTC |
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| Update Date | 2025-03-21 18:39:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124581 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C6H8O8S |
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| Molecular Mass | 239.994 |
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| SMILES | O=C(O)CC(=O)CCC(=O)OS(=O)(=O)O |
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| InChI Key | DNHPIROMGLBXIA-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativebeta-keto acidgamma-keto acidketoneorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compoundmedium-chain keto acid |
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