| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:12:06 UTC |
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| Update Date | 2025-03-25 01:45:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02507266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | CCC(=O)OCC(=O)C=O |
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| InChI Key | OXMCEXPSNSSWAK-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-acyloxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha ketoaldehydescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundalpha-acyloxy ketonealdehydecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativealpha-ketoaldehyde |
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