| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:42:10 UTC |
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| Update Date | 2025-03-24 21:44:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01877348 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H8O2 |
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| Molecular Mass | 124.0524 |
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| SMILES | O=CC(=O)C1=CCCC1 |
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| InChI Key | JHTSYZNDGPPULL-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 | alpha ketoaldehydes |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha-ketoaldehyde |
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