| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:06:10 UTC |
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| Update Date | 2025-03-25 01:42:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02493349 |
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| Frequency | 0.5 |
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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 | CC(=O)C1=CCC(C)(O)C1 |
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| InChI Key | XKUQVRBCRWGVJA-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 | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonecarbonyl grouptertiary alcoholorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivative |
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