| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:54 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CCC(O)C1C(=O)CC(O)CC1=O |
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| InChI Key | OCZZOLDACVQNBQ-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 | cyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcyclic ketonecyclic alcoholketoneorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-diketone |
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