| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:52 UTC |
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| Update Date | 2025-03-21 18:06:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064213 |
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| Frequency | 47.9 |
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| Structure | |
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| Chemical Formula | C9H16O6 |
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| Molecular Mass | 220.0947 |
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| SMILES | CCOC(=O)C1(O)CC(O)C(O)C(O)C1 |
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| InChI Key | ISQKTFFHHHGZHW-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 | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcyclohexanolcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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