| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:45 UTC |
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| Update Date | 2025-03-25 00:58:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O3 |
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| Molecular Mass | 172.1099 |
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| SMILES | C=CC(OC(=O)CC)C(C)(C)O |
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| InChI Key | HZAADAMLUXKWJJ-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 oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativecarboxylic acid derivative |
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