| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:50:23 UTC |
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| Update Date | 2025-03-24 14:04:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00747550 |
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| Frequency | 2.0 |
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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 | O=CC(=O)C1CCC(=O)O1 |
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| InChI Key | YMGRETOGLODWRT-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 | alpha ketoaldehydescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | alpha-acyloxy ketonetetrahydrofuranaldehydecarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativealpha-ketoaldehydeorganoheterocyclic compound |
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