| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:52:32 UTC |
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| Update Date | 2025-03-21 18:52:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00187187 |
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| Frequency | 12.2 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | COC1=CC(=O)CC1 |
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| InChI Key | DTWCFCILAJVNPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous esters |
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| Subclass | vinylogous esters |
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| Direct Parent | vinylogous esters |
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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 oxideorganic oxygen compoundvinylogous esteraliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketoneorganooxygen compound |
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