| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:12 UTC |
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| Update Date | 2025-03-21 18:05:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060290 |
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| Frequency | 51.9 |
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| Structure | |
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| Chemical Formula | C6H6O5 |
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| Molecular Mass | 158.0215 |
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| SMILES | O=C1CCC(C(=O)C(=O)O)O1 |
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| InChI Key | HGEANAUMFGXASZ-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-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesketonesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carboxylic acidalpha-acyloxy ketonetetrahydrofurancarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxideketo acidcarboxylic acid esteraliphatic heteromonocyclic compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compound |
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