| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:38:28 UTC |
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| Update Date | 2025-03-25 00:21:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01295976 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C5H8O4 |
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| Molecular Mass | 132.0423 |
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| SMILES | COC(=O)C(C)(O)C=O |
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| InChI Key | GTHSBYUTSDFKTN-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 | alpha-hydroxyaldehydeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundcarbonyl groupshort-chain aldehydealdehydecarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesmethyl esteralpha-hydroxyaldehydecarboxylic acid esterhydrocarbon derivative |
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