| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:12 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067409 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C7H6O7 |
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| Molecular Mass | 202.0114 |
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| SMILES | O=C1CC(O)(C(=O)O)C(=O)C(O)=C1O |
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| InChI Key | LTAJXBAZAUCKRS-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcoholsvinylogous acids |
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| Substituents | alcoholcyclohexenonecarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativevinylogous acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesacyloinaliphatic homomonocyclic compoundhydrocarbon derivative |
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