| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:27:44 UTC |
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| Update Date | 2025-03-24 20:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01557032 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | O=CCC1C=CC(O)CC1 |
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| InChI Key | AWFVWTOYCNLGSF-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-hydrogen aldehydes |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholorganic oxidealpha-hydrogen aldehydesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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