| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:47:49 UTC |
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| Update Date | 2025-03-21 20:03:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00314380 |
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| Frequency | 6.2 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CC(=O)C1CC(=O)C(=O)O1 |
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| InChI Key | BYYNNMSICJXNIB-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 | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscyclic ketonesfuranonesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | alpha-acyloxy ketonetetrahydrofurancyclic ketonecarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivative3-furanoneorganoheterocyclic compound |
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