| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:41 UTC |
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| Update Date | 2025-03-21 18:29:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075755 |
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| Frequency | 39.0 |
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| Structure | |
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| Chemical Formula | C9H12O8 |
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| Molecular Mass | 248.0532 |
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| SMILES | O=C(O)CCC(O)(CC(=O)O)CC(=O)C(=O)O |
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| InChI Key | ZUNMOZSHKJISBN-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesalpha-hydroxy ketoneketonetertiary alcoholorganic oxideorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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