| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:15:32 UTC |
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| Update Date | 2025-03-24 16:44:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00951698 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | C=C(C)C(=O)C(O)C(C)O |
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| InChI Key | STGYQNXCFPOITB-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 | b'-hydroxy-alpha,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsacryloyl compoundsacyloinsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesbeta-hydroxy ketonesenoneshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholalpha-branched alpha,beta-unsaturated-ketonebeta-hydroxy ketonealiphatic acyclic compoundb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha-hydroxy ketoneketonesaccharideorganic oxideacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,2-diolenone |
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