| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:44 UTC |
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| Update Date | 2025-03-21 18:06:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061584 |
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| Frequency | 50.5 |
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| Structure | |
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| Chemical Formula | C8H14O2 |
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| Molecular Mass | 142.0994 |
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| SMILES | CC(O)C(=O)C1CCCC1 |
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| InChI Key | CBDKYJFAVXNXHF-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 | acyloins |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxidessecondary alcohols |
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| Substituents | ketonealcoholorganic oxideacyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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