| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:32:49 UTC |
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| Update Date | 2025-03-24 22:07:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01997243 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CC(=O)OCC(C)CC=O |
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| InChI Key | JMFDVDRXRIZZGX-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 | carbonyl compounds |
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| Direct Parent | alpha-hydrogen aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxidemonocarboxylic acid or derivativesalpha-hydrogen aldehydecarboxylic acid esterhydrocarbon derivativecarboxylic acid derivative |
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