| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:15:15 UTC |
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| Update Date | 2025-03-21 23:11:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00663163 |
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| Frequency | 2.4 |
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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 | C=C1CC(=O)CC(C)(O)C1 |
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| InChI Key | ZNXYCOLMXLBMFN-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 | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonecarbonyl grouptertiary alcoholorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonecyclic alcohol |
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