| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:13:51 UTC |
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| Update Date | 2025-03-24 20:13:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01380652 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H14O2 |
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| Molecular Mass | 130.0994 |
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| SMILES | CC(O)C(C)(O)C1CC1 |
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| InChI Key | RUFRJCKMBPHIRM-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 | 1,2-diolshydrocarbon derivativessecondary alcohols |
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| Substituents | tertiary alcoholsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
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