| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:11:14 UTC |
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| Update Date | 2025-03-21 20:49:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00369452 |
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| Frequency | 5.1 |
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| Structure | |
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| Chemical Formula | C6H6O2 |
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| Molecular Mass | 110.0368 |
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| SMILES | O=C1C=CCC(O)=C1 |
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| InChI Key | SXTJXXFPCZPPRB-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 acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonevinylogous acidcarbonyl grouporganic oxideorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketoneorganooxygen compound |
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