| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:23 UTC |
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| Update Date | 2025-03-21 18:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027574 |
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| Frequency | 137.4 |
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| Structure | |
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| Chemical Formula | C6H6O6 |
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| Molecular Mass | 174.0164 |
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| SMILES | O=C(O)CCC(=O)C(=O)C(=O)O |
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| InChI Key | USAPFJKYJNCUHB-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativealpha-diketonebeta-keto acidgamma-keto acidketoneorganic oxideorganic oxygen compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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