| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:18 UTC |
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| Update Date | 2025-03-21 18:28:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074845 |
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| Frequency | 39.6 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | OCC1(O)C=CCCC1 |
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| InChI Key | KPCVWHNHKKSQHZ-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 derivatives |
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| Substituents | tertiary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
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