| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:12 UTC |
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| Update Date | 2025-03-21 18:35:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105914 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C9H14O6 |
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| Molecular Mass | 218.079 |
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| SMILES | CCOC(=O)C1(O)CC(=O)C(O)C(O)C1 |
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| InChI Key | JTEHJFXQACMBMQ-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 | carboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcyclitol or derivativescyclic ketonecarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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