| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:21 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O7 |
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| Molecular Mass | 216.027 |
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| SMILES | O=C(O)C1=CC(O)C(O)(C(=O)O)CC1=O |
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| InChI Key | KCPOGODXBDPKDL-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativescarboxylic acidscyclohexenonesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcyclohexenonecarbonyl groupcarboxylic acidalpha-hydroxy acidcyclic ketonecarboxylic acid derivativeketonebeta-hydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
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