| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:10:09 UTC |
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| Update Date | 2025-03-21 19:05:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00227669 |
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| Frequency | 9.5 |
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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 | CC1(O)CC=CC(=O)C1=O |
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| InChI Key | SJSSXYOWCMCBRI-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyloinshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcyclohexenonetertiary alcoholorganic oxideacyloinaliphatic homomonocyclic compoundhydrocarbon derivative |
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