| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:42:36 UTC |
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| Update Date | 2025-03-24 20:26:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01448662 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | CC=CC(O)C(=O)C=O |
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| InChI Key | HOVAZQWYIIFTKO-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 | acyloinsalpha ketoaldehydesalpha-hydroxy ketonesbeta-hydroxy aldehydeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundbeta-hydroxy aldehydealpha-hydroxy ketonemedium-chain aldehydeketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativealpha-ketoaldehyde |
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