| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:29:00 UTC |
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| Update Date | 2025-03-21 22:19:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00553926 |
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| Frequency | 3.0 |
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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(O)C(=O)C=CC=O |
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| InChI Key | NFDUHTIWSCMVFM-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 | acryloyl compoundsacyloinsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundalpha,beta-unsaturated ketonealpha-hydroxy ketonemedium-chain aldehydeketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupenone |
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