| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:43 UTC |
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| Update Date | 2025-03-21 18:40:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128768 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C9H18O5 |
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| Molecular Mass | 206.1154 |
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| SMILES | CC(C)C(=O)OCC(C)(O)C(O)CO |
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| InChI Key | XKEOMIWWBWKPET-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 | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary alcohol |
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