| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:20 UTC |
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| Update Date | 2025-03-21 18:33:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094031 |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | O=C(CO)C1CCCC1 |
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| InChI Key | DIKKQWNGQHQRKI-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 | ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolshydrocarbon derivativesorganic oxides |
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| Substituents | ketonealcoholorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivative |
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