| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:34:45 UTC |
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| Update Date | 2025-03-21 18:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00145028 |
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| Frequency | 17.0 |
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| Structure | |
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| Chemical Formula | C6H12O2 |
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| Molecular Mass | 116.0837 |
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| SMILES | C=CC(O)(CC)CO |
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| InChI Key | CFQQYRKGKUUGRW-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 acyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivatives |
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| Substituents | aliphatic acyclic compoundtertiary alcoholhydrocarbon derivative1,2-diol |
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