| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:49:58 UTC |
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| Update Date | 2025-03-21 20:04:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00319551 |
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| Frequency | 6.1 |
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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 | C=CC1CC(=O)C(=O)O1 |
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| InChI Key | BKAKASWJXSCVGN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dihydrofurans |
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| Subclass | furanones |
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| Direct Parent | furanones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscyclic ketonesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurancyclic ketonecarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivative3-furanoneorganooxygen compound |
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