| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:36 UTC |
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| Update Date | 2025-03-25 01:00:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O2 |
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| Molecular Mass | 154.0994 |
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| SMILES | CC(O)=CC(=O)C1CCCC1 |
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| InChI Key | NPESVZJGMQWARE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha,beta-unsaturated ketoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonevinylogous acidcarbonyl grouporganic oxideorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativealpha,beta-unsaturated ketoneorganooxygen compound |
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