| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:57 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O3 |
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| Molecular Mass | 156.0786 |
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| SMILES | C=CC1CC(O)C(O)CC1=O |
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| InChI Key | RXNQPJOORMKGMN-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 | cyclic alcohols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolscyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupcyclic ketonecyclic alcoholketoneorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
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