| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:27:10 UTC |
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| Update Date | 2025-03-25 01:03:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02263280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | O=CC(=O)C1C=C(O)CC1 |
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| InChI Key | MKXYHBSFMUQRGK-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 | alpha ketoaldehydes |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha-ketoaldehyde |
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