| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:19:30 UTC |
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| Update Date | 2025-03-25 00:14:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01251002 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C8H10O2 |
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| Molecular Mass | 138.0681 |
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| SMILES | O=CCC1C=CC(=O)CC1 |
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| InChI Key | XAFFXYPUTXLJTJ-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | cyclohexenoneorganic oxidealpha-hydrogen aldehydealiphatic homomonocyclic compoundaldehydehydrocarbon derivative |
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