| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:35 UTC |
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| Update Date | 2025-03-25 00:49:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3 |
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| Molecular Mass | 168.0786 |
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| SMILES | CCCCC1C(=O)C=C(O)C1=O |
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| InChI Key | PQSGTBILQXYCST-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 ketoneshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | ketonevinylogous acidorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone1,3-diketone |
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