| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:36:53 UTC |
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| Update Date | 2025-03-21 22:51:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00572946 |
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| Frequency | 2.9 |
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| Structure | |
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| Chemical Formula | C5H12O2 |
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| Molecular Mass | 104.0837 |
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| SMILES | CC(C)COCO |
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| InChI Key | QONBKISCDWCHKF-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 | ethers |
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| Direct Parent | hemiacetals |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundhemiacetalhydrocarbon derivative |
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