| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:12 UTC |
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| Update Date | 2025-03-21 18:32:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091243 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C8H12O6 |
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| Molecular Mass | 204.0634 |
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| SMILES | COC1(C(=O)O)CC(=O)C(O)C(O)C1 |
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| InChI Key | IDAOGRKSQDBMNB-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 | alcohols and polyols |
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| Direct Parent | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolscarboxylic acidscyclic ketonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidcyclitol or derivativescyclic ketonecarboxylic acid derivativedialkyl etherketoneorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
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