| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:02:58 UTC |
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| Update Date | 2025-03-21 22:07:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00492280 |
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| Frequency | 3.5 |
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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 | C=CC(=O)C(O)C(O)C=O |
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| InChI Key | RIZBYDNDDOGGOL-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 | 1,2-diolsacryloyl compoundsacyloinsalpha-hydroxy ketonesalpha-hydroxyaldehydesbeta-hydroxy aldehydesbeta-hydroxy ketonesenoneshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundbeta-hydroxy aldehydeb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonemedium-chain aldehydeketonesaccharideorganic oxidealpha-hydroxyaldehydeacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,2-diolenone |
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