| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:30:39 UTC |
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| Update Date | 2025-03-25 00:19:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01277581 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CCC(C)C(=O)C(=O)C=O |
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| InChI Key | JFYIVWCXVRPDSX-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 | medium-chain aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha ketoaldehydesalpha-diketonesbeta ketoaldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundbeta-ketoaldehydemedium-chain aldehydealpha-diketoneketoneorganic oxidehydrocarbon derivativealpha-ketoaldehyde |
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