| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:03:13 UTC |
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| Update Date | 2025-03-24 21:27:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01784789 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | C=CCC(C)(O)C(C)=O |
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| InChI Key | SYQRQOOKHDEYLO-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 | acyloins |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketoneshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | ketonealcoholaliphatic acyclic compoundtertiary alcoholorganic oxideacyloinhydrocarbon derivativealpha-hydroxy ketone |
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