| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:20 UTC |
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| Update Date | 2025-03-21 17:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009278 |
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| Frequency | 521.0 |
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| Structure | |
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| Chemical Formula | C7H14O2 |
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| Molecular Mass | 130.0994 |
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| SMILES | CCCC(O)CC(C)=O |
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| InChI Key | QSJHFVISBQRPRU-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-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundorganic oxidesecondary alcoholhydrocarbon derivative |
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