| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:29:17 UTC |
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| Update Date | 2025-03-24 20:20:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01417485 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H8O2 |
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| Molecular Mass | 124.0524 |
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| SMILES | CC1=C(CO)C(=O)C=C1 |
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| InChI Key | YJPRXXSATYYTIH-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 | cyclic ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
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