| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:49:17 UTC |
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| Update Date | 2025-03-24 20:54:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01607680 |
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| Frequency | 0.8 |
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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 | CC(O)C1=CC(=O)C=C1 |
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| InChI Key | WFNKQNICNSCSDK-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 | alcohols and polyols |
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| Direct Parent | secondary alcohols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonecarbonyl grouporganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
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