| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:45 UTC |
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| Update Date | 2025-03-21 18:02:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040301 |
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| Frequency | 85.8 |
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| Structure | |
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| Chemical Formula | C7H8O8 |
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| Molecular Mass | 220.0219 |
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| SMILES | O=C(O)CC(=O)C(O)(CC(=O)O)C(=O)O |
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| InChI Key | ABRRQQHKPAFQJU-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidalpha-hydroxy ketonebeta-keto acidgamma-keto acidketonetertiary alcoholorganic oxideorganic oxygen compoundketo acidacyloinhydrocarbon derivativeorganooxygen compound |
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