| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:28:16 UTC |
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| Update Date | 2025-03-21 22:19:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00552181 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C7H10O2 |
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| Molecular Mass | 126.0681 |
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| SMILES | CC1=CC(=O)C(C)(O)C1 |
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| InChI Key | QGWWSJAFEUTZMS-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 homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | ketonealcoholtertiary alcoholorganic oxideacyloinaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
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