| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:36 UTC |
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| Update Date | 2025-03-21 18:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035177 |
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| Frequency | 101.6 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | OCC1(O)C=CC(O)C(O)C1 |
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| InChI Key | PRGKVCGXAZNKCG-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 | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativessecondary alcoholstertiary alcohols |
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| Substituents | tertiary alcoholsecondary alcoholaliphatic homomonocyclic compoundcyclitol or derivativeshydrocarbon derivative |
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