| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:45 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237280 |
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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 | O=C(CO)C1CCCCC1=O |
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| InChI Key | QJLPRBLGXSGSMB-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 | beta-diketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolscyclic ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonealcoholorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone1,3-diketone |
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