| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:32:50 UTC |
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| Update Date | 2025-03-24 20:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01569450 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC1(O)CCC(O)=CC1=O |
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| InChI Key | KGOBWMGUSJOZDF-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 alcoholsvinylogous acids |
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| Substituents | alcoholcyclohexenonevinylogous acidtertiary alcoholorganic oxideacyloinaliphatic homomonocyclic compoundhydrocarbon derivative |
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