| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:51 UTC |
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| Update Date | 2025-03-25 00:55:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210168 |
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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 | CC(O)C1=C(O)CCCC1=O |
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| InChI Key | PKTABGMDTLLKHL-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 | hydrocarbon derivativesorganic oxidessecondary alcoholsvinylogous acids |
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| Substituents | alcoholcyclohexenonevinylogous acidorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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