| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:17 UTC |
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| Update Date | 2025-03-21 18:37:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118349 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C9H12O6 |
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| Molecular Mass | 216.0634 |
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| SMILES | O=C(O)CC1CCC(CC(=O)C(=O)O)O1 |
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| InChI Key | PMTBBJFVYASXEK-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidtetrahydrofuranalpha-hydroxy ketonedialkyl etherketoneoxacycleorganic oxideorganic oxygen compoundketo acidaliphatic heteromonocyclic compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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