| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:27:15 UTC |
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| Update Date | 2025-03-24 21:38:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01841980 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=C1C=COC(=O)CC1 |
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| InChI Key | TVKRZPBAOJATFV-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | enol esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcyclic ketoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeenol esterorganoheterocyclic compoundorganooxygen compound |
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