| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:49:59 UTC |
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| Update Date | 2025-03-21 20:04:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00319563 |
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| Frequency | 6.1 |
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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 | C=CC(=O)C(O)C(C)=O |
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| InChI Key | IJLGGDVHOKKNAT-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 | beta-diketones |
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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 ketoneketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,3-diketoneenone |
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